1,4-Butanediol (1,4-BDO; Butane-1,4-diol) [C4H10O2]

Query Query OH

1. Query

HO

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2018-07-13 15h:56m:20s (UTC)

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Reaxys ID 1633445 View in Reaxys

1/1 CAS Registry Number: 110-63-4 Chemical Name: Butane-1,4-diol; 1,4-Butanediol; 1,4-butadiol Linear Structure Formula: HOCH2(CH2)2CH2OH Molecular Formula: C4H10O2 Molecular Weight: 90.1222 Type of Substance: acyclic InChI Key: WERYXYBDKMZEQL-UHFFFAOYSA-N Note:

OH HO

Substance Label (172) Label References 1e

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BDO

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Martin, Tomas; Martin, Victor S.; Tetrahedron Letters; vol. 41; nb. 14; (2000); p. 2503 - 2505, View in Reaxys; Nishida, Takanobu; Vang, Le Van; Yamazawa, Hiroyuki; Yoshida, Ryuji; Naka, Hideshi; Tsuchida, Koji; Ando, Tetsu; Bioscience, Biotechnology and Biochemistry; vol. 67; nb. 4; (2003); p. 822 - 829, View in Reaxys; Chen, Fei; Song, Ke-Sheng; Wu, Yun-Dong; Yang, Dan; Journal of the American Chemical Society; vol. 130; nb. 2; (2008); p. 743 755, View in Reaxys; Lomas, John S.; Magnetic Resonance in Chemistry; vol. 52; nb. 3; (2014); p. 87 - 97, View in Reaxys; Kagawa, Natsuko; Nibbs, Antoinette E.; Rawal, Viresh H.; Organic Letters; vol. 18; nb. 10; (2016); p. 2363 - 2366, View in Reaxys; Patent; Korea Institute of Science and Technology; Ulsan University Academic Cooperation; Kim, Dong Jin; Nam, Gil Soo; Choe, Gyung Ir; Park, Woong Saw; Kim, Young Soo; Pyeon, Sung Lim; Hwang, Hyun Suk; Mun, Doo Hyun; Hwang, Ohn Yu; Sim, Young Sun; Kim, Jin Woo; Kim, Yun Gyung; Kang, Yong Gu; Park, Gi Tuk; (106 pag.); KR101525019; (2015); (B1) Korean, View in Reaxys; Timofeev; Bazanov; Zubritskaya; Russian Journal of Organic Chemistry; vol. 52; nb. 12; (2016); p. 1756 - 1761; Zh. Org. Khim.; vol. 52; nb. 12; (2016); p. 1765 - 1770,6, View in Reaxys

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1,4-BDO

Vom Stein, Thorsten; Meuresch, Markus; Limper, Dominik; Schmitz, Marc; Hölscher, Markus; Coetzee, Jacorien; Cole-Hamilton, David J.; Klankermayer, Jürgen; Leitner, Walter; Journal of the American Chemical Society; vol. 136; nb. 38; (2014); p. 13217 - 13225, View in Reaxys; Hu, Qi; Fan, Guoli; Yang, Lan; Cao, Xinzhong; Zhang, Peng; Wang, Baoyi; Li, Feng; Green Chemistry; vol. 18; nb. 8; (2016); p. 2317 - 2322, View in Reaxys

70

Ren, Bo; Ramström, Olof; Zhang, Qiang; Ge, Jiantao; Dong, Hai; Chemistry - A European Journal; vol. 22; nb. 7; (2016); p. 2481 - 2486, View in Reaxys

5u

Elangovan, Saravanakumar; Wendt, Bianca; Topf, Christoph; Bachmann, Stephan; Scalone, Michelangelo; Spannenberg, Anke; Jiao, Haijun; Baumann, Wolfgang; Junge, Kathrin; Beller, Matthias; Advanced Synthesis and Catalysis; vol. 358; nb. 5; (2016); p. 820 - 825, View in Reaxys

18

Bujaranipalli, Sheshurao; Das, Saibal; Tetrahedron Letters; vol. 57; nb. 25; (2016); p. 2800 - 2802, View in Reaxys

13a

Okamoto, Mayumi; Shibayama, Hiromitsu; Naka, Kyosuke; Kitagawa, Yuya; Ishiwata, Kiichi; Shimizu, Isao; Toyohara, Jun; Nuclear Medicine and Biology; vol. 43; nb. 8; (2016); p. 512 - 519, View in Reaxys

4q

Lu, Lijun; Shi, Renyi; Liu, Luyao; Yan, Jingwen; Lu, Fangling; Lei, Aiwen; Chemistry - A European Journal; vol.

22; nb. 41; (2016); p. 14484 - 14488, View in Reaxys

28

Vorberg, Raffael; Trapp, Nils; Zimmerli, Daniel; Wagner, Björn; Fischer, Holger; Kratochwil, Nicole A.; Kansy, Manfred; Carreira, Erick M.; Müller, Klaus; ChemMedChem; (2016); p. 2216 - 2239, View in Reaxys

10c

Wessig, Pablo; Czarnecki, Maciej; Badetko, Dominik; Schilde, Uwe; Kelling, Alexandra; Journal of Organic Chemistry; vol. 81; nb. 19; (2016); p. 9147 - 9157, View in Reaxys

3d

Patent; National University Corporation Nagoya University; Saito, Susumu; Noyori, Ryoji; Miura, Takashi; Naruto, Masayuki; Iida, Kazuki; Takada, Yuki; Toda, Katsuaki; Nimura, Sota; Agrawal, Santosh; Lee, Sunkook; (42 pag.); US9463451; (2016); (B2) English, View in Reaxys

6a

Murphy, John A.; Rasheed, Faiza; Roome, Stephen J.; Scott, Karen A.; Lewis, Norman; Journal of the Chemical Society - Perkin Transactions 1; nb. 15; (1998); p. 2331 - 2339, View in Reaxys; Zheng, Yufen; Zou, Wenxing; Luo, Laichun; Chen, Jiabei; Lin, Songwen; Sun, Qi; RSC Advances; vol. 5; nb. 81; (2015); p. 66104 - 66108, View in Reaxys

2b

Uyama, Hiroshi; Wada, Satoshi; Kobayashi, Shiro; Chemistry Letters; nb. 9; (1999); p. 893 - 894, View in Reaxys; Ewonkem, Monique B.; Grinberg, Sarina; Lemcoff, Gabriel; Shaubi, Eleonora; Linder, Charles; Heldman, Eliahu; Tetrahedron; vol. 71; nb. 45; (2015); p. 8557 - 8571, View in Reaxys

1f

Iwasaki, Fumiaki; Maki, Toshihide; Onomura, Osamu; Nakashima, Waka; Matsumura, Yoshihiro; Journal of Organic Chemistry; vol. 65; nb. 4; (2000); p. 996 - 1002, View in Reaxys; Tanaka, Hideo; Kawakami, Yusuke; Goto, Kentaro; Kuroboshi, Manabu; Tetrahedron Letters; vol. 42; nb. 3; (2001); p. 445 - 448, View in Reaxys; Pea-Lpez,

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Miguel; Neumann, Helfried; Beller, Matthias; ChemCatChem; vol. 7; nb. 5; (2015); p. 865 - 871, View in Reaxys; Zhai, Wen-Qiang; Jiang, Sheng-Peng; Peng, Ru-Fang; Jin, Bo; Wang, Guan-Wu; Organic Letters; vol. 17; nb. 8; (2015); p. 1862 - 1865, View in Reaxys 8

Moody, Christopher J.; Miller, David J.; Tetrahedron; vol. 54; nb. 10; (1998); p. 2257 - 2268, View in Reaxys; Dias, Luiz C.; De Oliveira, Luciana G.; Vilcachagua, Janaina D.; Nigsch, Florian; Journal of Organic Chemistry; vol. 70; nb. 6; (2005); p. 2225 - 2234, View in Reaxys; Colobert, Francoise; Kreuzer, Thomas; Cossy, Janine; Reymond, Sebastien; Tsuchiya, Tomoki; Ferrie, Laurent; Marko, Istvan E.; Jourdain, Pierre; Synlett; nb. 15; (2007); p. 2351 - 2354, View in Reaxys; Khan, Ashna A.; Kamena, Faustin; Timmer, Mattie S.M.; Stocker, Bridget L.; Organic and Biomolecular Chemistry; vol. 11; nb. 6; (2013); p. 881 - 885, View in Reaxys; Desrat, Sandy; Remeur, Camille; Roussi, Fanny; Organic and Biomolecular Chemistry; vol. 13; nb. 19; (2015); p. 5520 - 5531, View in Reaxys

7

Caddick, Stephen; McCarroll, Andrew J; Sandham, David A; Tetrahedron; vol. 57; nb. 29; (2001); p. 6305 - 6310, View in Reaxys; Loh, Teck-Peng; Hu, Qi-Ying; Chok, Yew-Keong; Tan, Kui-Thong; Tetrahedron Letters; vol. 42; nb.

52; (2001); p. 9277 - 9280, View in Reaxys; Gong, Han-Yuan; Wang, De-Xian; Xiang, Jun-Feng; Zheng, Qi-Yu; Wang, Mei-Xiang; Chemistry - A European Journal; vol. 13; nb. 27; (2007); p. 7791 - 7802, View in Reaxys; Sorto, Nohemy A.; Painter, Phillip P.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.; Organic Letters; vol. 15; nb.

11; (2013); p. 2700 - 2703, View in Reaxys; Bhoite, Shubhangi P.; Kamble, Rohit B.; Suryavanshi, Gurunath M.; Tetrahedron Letters; vol. 56; nb. 32; (2015); p. 4704 - 4705; Art.No: 46404, View in Reaxys; Boudier, Adrien; Breuil, Pierre-Alain R.; Magna, Lionel; Olivier-Bourbigou, Hélène; Braunstein, Pierre; Dalton Transactions; vol. 44; nb.

29; (2015); p. 12995 - 12998, View in Reaxys

4a

Tan, Xuefeng; Wang, Yan; Liu, Yuanhua; Wang, Fangyuan; Shi, Liyang; Lee, Ka-Ho; Lin, Zhenyang; Lv, Hui; Zhang, Xumu; Organic Letters; vol. 17; nb. 3; (2015); p. 454 - 457, View in Reaxys; Xie, Xiaomin; Stahl, Shannon S.; Journal of the American Chemical Society; vol. 137; nb. 11; (2015); p. 3767 - 3770, View in Reaxys

2i

Wu, Jun; Li, Fa-Bao; Zhang, Xiao-Feng; Shi, Ji-Long; Liu, Li; RSC Advances; vol. 5; nb. 39; (2015); p. 30549 30554, View in Reaxys

30

Tan, Haibo; Chen, Xinzheng; Chen, Huiyu; Liu, Hongxin; Qiu, Shengxiang; European Journal of Organic Chemistry; vol. 2015; nb. 22; (2015); p. 4956 - 4963, View in Reaxys

2ah

Cui, Xinjiang; Li, Yuehui; Topf, Christoph; Junge, Kathrin; Beller, Matthias; Angewandte Chemie - International Edition; vol. 54; nb. 36; (2015); p. 10596 - 10599; Angew. Chem.; vol. 127; (2015); p. 10742 - 10745,4, View in Reaxys

1d

Chéry, Florence; Cabianca, Elena; Tatibouët, Arnaud; De Lucchi, Ottorino; Lindhorst, Thisbe K.; Rollin, Patrick; Carbohydrate Research; vol. 417; (2015); p. 117 - 124, View in Reaxys

3w

Santra, Surojit; Guin, Joyram; European Journal of Organic Chemistry; vol. 2015; nb. 33; (2015); p. 7253 - 7257, View in Reaxys

9

Hirota-Nakaoka, Nami; Goto, Yuji; Bioorganic and Medicinal Chemistry; vol. 7; nb. 1; (1999); p. 67 - 73, View in Reaxys; Spino, Claude; Barriault, Nancy; Journal of Organic Chemistry; vol. 64; nb. 14; (1999); p. 5292 5298, View in Reaxys; Selva, Maurizio; Caretto, Alessio; Noe, Marco; Perosa, Alvise; Organic and Biomolecular Chemistry; vol. 12; nb. 24; (2014); p. 4143 - 4155, View in Reaxys; Díaz-Rodríguez, Alba; Martínez-Montero, Lía; Lavandera, Iván; Gotor, Vicente; Gotor-Fernández, Vicente; Advanced Synthesis and Catalysis; vol. 356; nb. 10; (2014); p. 2321 - 2329, View in Reaxys

12

Kadota, Isao; Lutete, Leopold Mpaka; Shibuya, Akinori; Yamamoto, Yoshinori; Tetrahedron Letters; vol. 42; nb.

35; (2001); p. 6207 - 6210, View in Reaxys; Subba Reddy; Sivaramakrishna Reddy; Phaneendra Reddy; Yadav; Synlett; vol. 25; nb. 4; (2014); p. 501 - 504; Art.No: ST-2013-D0895-L, View in Reaxys

14

Choy, Nakyen; Shin, Youseung; Nguyen, Phu Qui; Curran, Dennis P.; Balachandran, Raghavan; Madiraju, Charitha; Day, Billy W.; Journal of Medicinal Chemistry; vol. 46; nb. 14; (2003); p. 2846 - 2864, View in Reaxys; Hellal, Malik; Falk, Florian C.; Wolf, Elena; Dryzhakov, Marian; Moran, Joseph; Organic and Biomolecular Chemistry; vol. 12; nb. 31; (2014); p. 5990 - 5994, View in Reaxys

3c

Liguori, Francesca; Barbaro, Pierluigi; Journal of Catalysis; vol. 311; (2014); p. 212 - 220, View in Reaxys

II

Patent; Bou Chedid, Roland; Melder, Johann-Peter; Dostalek, Roman; Pastre, Jörg; Tan, Aik Meam; US2014/18547; (2014); (A1) English, View in Reaxys

3q

Fujita, Ken-Ichi; Ito, Wataru; Yamaguchi, Ryohei; ChemCatChem; vol. 6; nb. 1; (2014); p. 109 - 112, View in Reaxys

I-4

Wang, Lu; Xu, Chen; Chen, Li; Hao, Xiaojiang; Wang, David Zhigang; Organic Letters; vol. 16; nb. 4; (2014); p.

1076 - 1079, View in Reaxys

1h

Dhumaskar, Kashinath L.; Bhat, Chinmay; Tilve, Santosh G.; Synthetic Communications; vol. 44; nb. 10; (2014); p.

1501 - 1506, View in Reaxys

6b

Zhang, Quanxuan; Ren, Hong; Baker, Gregory L.; Tetrahedron Letters; vol. 55; nb. 22; (2014); p. 3384 - 3386, View in Reaxys

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5h

Chakraborty, Sumit; Dai, Huiguang; Bhattacharya, Papri; Fairweather, Neil T.; Gibson, Michael S.; Krause, Jeanette A.; Guan, Hairong; Journal of the American Chemical Society; vol. 136; nb. 22; (2014); p. 7869 - 7872, View in Reaxys

2f

Tayade, Kamlesh N.; Mishra, Manish; Munusamy; Somani, Rajesh S.; Journal of Molecular Catalysis A: Chemical; vol. 390; (2014); p. 91 - 96, View in Reaxys

S4

Li, Jing; Lowary, Todd L.; MedChemComm; vol. 5; nb. 8; (2014); p. 1130 - 1137, View in Reaxys

2o

Han, Feng; Yang, Lei; Li, Zhen; Zhao, Yingwei; Xia, Chungu; Advanced Synthesis and Catalysis; vol. 356; nb.

11-12; (2014); p. 2506 - 2516, View in Reaxys

6j

Werkmeister, Svenja; Junge, Kathrin; Wendt, Bianca; Alberico, Elisabetta; Jiao, Haijun; Baumann, Wolfgang; Junge, Henrik; Gallou, Fabrice; Beller, Matthias; Angewandte Chemie - International Edition; vol. 53; nb. 33; (2014); p. 8722 - 8726; Angew. Chem.; vol. 126; nb. 33; (2014); p. 8867 - 8871,5, View in Reaxys

IIIa

Khusnutdinov; Shchadneva; Mayakova; Russian Journal of Organic Chemistry; vol. 50; nb. 7; (2014); p. 948 - 952; Zh. Org. Khim.; vol. 50; nb. 7; (2014); p. 968 - 972,5, View in Reaxys

2k

Zeng, Ruijie; Sheng, Hongting; Zhang, Yongcang; Feng, Yan; Chen, Zhi; Wang, Junfeng; Chen, Man; Zhu, Manzhou; Guo, Qingxiang; Journal of Organic Chemistry; vol. 79; nb. 19; (2014); p. 9246 - 9252, View in Reaxys

BOD

Hong, Ung Gi; Kim, Jeong Kwon; Lee, Joongwon; Lee, Jong Kwon; Yi, Jongheop; Song, In Kyu; Journal of Nanoscience and Nanotechnology; vol. 14; nb. 11; (2014); p. 8867 - 8872, View in Reaxys

S6

Zhang, Xingxing; Zhang, Baoqi; Lin, Jinping; Wei, Dongzhi; Journal of Molecular Catalysis B: Enzymatic; vol. 112; (2014); p. 69 - 75, View in Reaxys

1c

Kulkarni, Bheemashankar A.; Sharma, Anubha; Gamre, Sunita; Chattopadhyay, Subrata; Synthesis; nb. 4; (2004); p. 595 - 599, View in Reaxys; Bosch, Ma. Pilar; Guerrero, Angel; Synlett; nb. 17; (2005); p. 2611 - 2614; Art.No: D18805ST, View in Reaxys; Sigwalt, David; Schillinger, Franck; Guerra, Sebastiano; Holler, Michel; Berville, Mathilde; Nierengarten, Jean-Francois; Tetrahedron Letters; vol. 54; nb. 32; (2013); p. 4241 - 4244, View in Reaxys

32

Zhou, Shengfeng; Chen, Huaxiang; Liao, Wensheng; Chen, Shu-Hui; Li, Ge; Ando, Ryoichi; Kuwajima, Isao; Tetrahedron Letters; vol. 46; nb. 37; (2005); p. 6341 - 6344, View in Reaxys; Kumar, Jayprakash Narayan; Das, Biswanath; Tetrahedron Letters; vol. 54; nb. 29; (2013); p. 3865 - 3867, View in Reaxys

S2

Erkkilae, Anniina; Pihko, Petri M.; Journal of Organic Chemistry; vol. 71; nb. 6; (2006); p. 2538 - 2541, View in Reaxys; Bedard, Anne-Catherine; Regnier, Sophie; Collins, Shawn K.; Green Chemistry; vol. 15; nb. 7; (2013); p. 1962 - 1966, View in Reaxys

BAD

Pyatnitsyna; El'chaninov; Savost'yanov; Russian Journal of Applied Chemistry; vol. 79; nb. 1; (2006); p. 89 - 92, View in Reaxys; Pyatnitsyna; El'Chaninov; Russian Journal of Applied Chemistry; vol. 86; nb. 3; (2013); p. 394 - 397; Zh. Prikl. Khim. (S.-Peterburg, Russ. Fed.); vol. 86; nb. 3; (2013); p. 425 - 428,4, View in Reaxys

1b

Bhure, Mahesh H.; Kumar, Indresh; Natu, Arun D.; Rode, Chandrashekhar V.; Synthetic Communications; vol.

38; nb. 3; (2008); p. 346 - 353, View in Reaxys; Chen, Hongren; Liu, Peilian; Li, Huijuan; Zhang, Hong; Daniel, Stelck; Zeng, Zhuo; European Journal of Organic Chemistry; nb. 33; (2013); p. 7517 - 7527, View in Reaxys; Liu, Peilian; Chen, Hongren; Daniel, Stelck; Hang, Deyu; Zhao, Lei; Wang, Hui; Zeng, Zhuo; Journal of Fluorine Chemistry; vol. 156; (2013); p. 327 - 332, View in Reaxys

3p

Junge, Kathrin; Wendt, Bianca; Zhou, Shaolin; Beller, Matthias; European Journal of Organic Chemistry; nb. 11; (2013); p. 2061 - 2065, View in Reaxys

1,4 BDO

Patent; CONSER SPA; SIMOLA, Flavio; SCARSELLA, Marco; DE FILIPPIS, Paolo; WO2013/76747; (2013); (A1) English, View in Reaxys

6,5

Yadav; Raju; Ravindar; Subba Reddy; Tetrahedron Letters; vol. 54; nb. 25; (2013); p. 3227 - 3229, View in Reaxys

DHB

Chen, Yu; Cao, Derong; Wang, Lingyun; He, Minqing; Zhou, Lixia; Schollmeyer, Dieter; Meier, Herbert; Chemistry - A European Journal; vol. 19; nb. 22; (2013); p. 7064 - 7070, View in Reaxys

41'

Morellato-Castillo, Laurence; Acharya, Priyamvada; Combes, Olivier; Michiels, Johan; Descours, Anne; Ramos, Oscar H. P.; Yang, Yongping; Vanham, Guido; Arien, Kevin K.; Kwong, Peter D.; Martin, Loic; Kessler, Pascal; Journal of Medicinal Chemistry; vol. 56; nb. 12; (2013); p. 5033 - 5047, View in Reaxys

2j

Mase, Nobuyuki; Isomura, Shogo; Toda, Mitsuo; Watanabe, Naoharu; Synlett; vol. 24; nb. 17; (2013); p. 2225 2228, View in Reaxys

23

Guerra, Sebastiano; Trinh, Thi Minh Nguyet; Schillinger, Franck; Muhlberger, Lucie; Sigwalt, David; Holler, Michel; Nierengarten, Jean-Francois; Tetrahedron Letters; vol. 54; nb. 46; (2013); p. 6251 - 6257, View in Reaxys

S24

Allegretti, Paul A.; Ferreira, Eric M.; Journal of the American Chemical Society; vol. 135; nb. 46; (2013); p. 17266 17269, View in Reaxys

3-a1-2

Patent; Son, Tamaki; Ikura, Kiyoshi; US2012/232295; (2012); (A1) English, View in Reaxys

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IV

Fomina, E. V.; Korovin, L. P.; Fomin, V. A.; Russian Journal of Applied Chemistry; vol. 85; nb. 8; (2012); p. 1225 1231,7; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 85; nb. 8; (2012); p. 1225 - 1231,7, View in Reaxys

1i

Fu, Zhenqian; Lee, Jeongbin; Kang, Byungjoon; Hong, Soon Hyeok; Organic Letters; vol. 14; nb. 23; (2012); p.

6028 - 6031, View in Reaxys

16b

Biava, Mariangela; Battilocchio, Claudio; Poce, Giovanna; Alfonso, Salvatore; Consalvi, Sara; Porretta, Giulio Cesare; Schenone, Silvia; Calderone, Vincenzo; Martelli, Alma; Testai, Lara; Ghelardini, Carla; Di Cesare Mannelli, Lorenzo; Sautebin, Lidia; Rossi, Antonietta; Giordani, Antonio; Patrignani, Paola; Anzini, Maurizio; European Journal of Medicinal Chemistry; vol. 58; (2012); p. 287 - 298, View in Reaxys

2d

Takahashi, Kana; Iwamoto, Ryoji; Sakata, Ryo; Soeta, Takahiro; Inomata, Katsuhiko; Ukaji, Yutaka; Heterocycles; vol. 86; nb. 2; (2012); p. 1031 - 1038, View in Reaxys

3f

Wang, Yanqin; Li, Zhenjiang; Chinese Journal of Catalysis; vol. 33; nb. 2-3; (2012); p. 502 - 507, View in Reaxys

B1

Patent; Joannet, Eric; Kiwi-Minsker, Lioubov; Renken, Albert; US2008/312475; (2008); (A1) English, View in Reaxys

educt to 7-8

Guerrero-Alvarez, Jorge Antonio; Ariza-Castolo, Armando; Tetrahedron Letters; vol. 48; nb. 5; (2007); p. 795 - 798, View in Reaxys

Table 1, ROH, entry 4

Chittamuru, Sumathi; Lambert, Timothy N.; Martinez, Gloria; Jacobs, Hollie K.; Gopalan, Aravamudan S.; Tetrahedron Letters; vol. 48; nb. 4; (2007); p. 567 - 571, View in Reaxys

25

Brunel, Jean Michel; Synlett; nb. 2; (2007); p. 330 - 332, View in Reaxys

35

Mulzer, Johann; Kaselow, Ulrich; Graske, Klaus-Dieter; Kuehne, Holger; Sieg, Andreas; Martin, Harry J.; Tetrahedron; vol. 60; nb. 43 SPEC. ISS.; (2004); p. 9599 - 9614, View in Reaxys; Brunel, Jean Michel; Tetrahedron; vol. 63; nb. 18; (2007); p. 3899 - 3906, View in Reaxys

Table 1, subst. 6

Prabhakar; Suryakiran; Venkateswarlu; Chemistry Letters; vol. 36; nb. 6; (2007); p. 732 - 733, View in Reaxys

3b

Ito, Masato; Osaku, Akihide; Shiibashi, Akira; Ikariya, Takao; Organic Letters; vol. 9; nb. 9; (2007); p. 1821 - 1824, View in Reaxys

36

Jung, Jae Hoon; Kim, Yong Wook; Kim, Min Ah; Choi, Soo Young; Chung, Young Keun; Kim, Tae-Rae; Shin, Seokmin; Lee, Eun; Organic Letters; vol. 9; nb. 17; (2007); p. 3225 - 3228, View in Reaxys

5a, n=1

Harada, Kenichi; Ito, Hitoshi; Hioki, Hideaki; Fukuyama, Yoshiyasu; Tetrahedron Letters; vol. 48; nb. 35; (2007); p. 6105 - 6108, View in Reaxys

educt to 9c

Ohta, Shunsaku; Khadeer, Abdul; Kakuno, Akiko; Kawasaki, Ikuo; Yamashita, Masayuki; Heterocycles; vol. 71; nb. 4; (2007); p. 815 - 833, View in Reaxys

14BD

Romero, Carmen M.; Paez, Manuel S.; Journal of Solution Chemistry; vol. 36; nb. 2; (2007); p. 237 - 245, View in Reaxys

educt to 3b

Fujita, Ken-ichi; Fujii, Takeshi; Komatsubara, Atsuo; Enoki, Youichiro; Yamaguchi, Ryohei; Heterocycles; vol.

74; nb. C; (2007); p. 673 - 682, View in Reaxys

6-1

Patent; CHUGAI SEIYAKU KABUSHIKI KAISHA; EP1857456; (2007); (A1) English, View in Reaxys

HO(CH2)4OH

Thalladi, Venkat R.; Boese, Roland; Weiss, Hans-Christoph; Angewandte Chemie (International Edition in English); vol. 39; nb. 5; (2000); p. X918-922, View in Reaxys; Yadav; Nanda; Bhaskar Rao; Synlett; nb. 6; (2001); p. 787 - 788, View in Reaxys; Mohan, Halasayam; Gemma, Emiliano; Ruda, Katinka; Oscarson, Stefan; Synlett; nb. 9 SPEC. ISS.; (2003); p. 1255 - 1256, View in Reaxys; Yang, Yong-Qing; Cui, Jia-Rong; Zhu, Lin-Gui; Sun, Ya-Ping; Wu, Yikang; Synlett; nb. 8; (2006); p. 1260 - 1262, View in Reaxys

Table 2. Entry 11.

ROH

Azizi, Najmedin; Yousefi, Rozbeh; Saidi, Mohammad R.; Journal of Organometallic Chemistry; vol. 691; nb. 5; (2006); p. 817 - 820, View in Reaxys

Substrate,Tab.1, run Reddy, T. Srikanth; Narasimhulu; Suryakiran; Mahesh, K. Chinni; Ashalatha; Venkateswarlu; Tetrahedron Let26 ters; vol. 47; nb. 38; (2006); p. 6825 - 6829, View in Reaxys 5b

Wang, Jun; Uttamchandani, Mahesh; Li, Junqi; Hu, Mingyu; Yao, Shao Q.; Chemical Communications; nb. 36; (2006); p. 3783 - 3785, View in Reaxys

subst., Tab.2, entry 1

Kashiwagi, Yoshitomo; Ikezoe, Hiroshi; Ono, Tetsuya; Synlett; nb. 1; (2006); p. 69 - 72; Art.No: U28805ST, View in Reaxys

4

Mesguiche, Veronique; Valls, Robert; Piovetti, Louis; Peiffer, Gilbert; Tetrahedron Letters; vol. 40; nb. 42; (1999); p.

7473 - 7476, View in Reaxys; Carter, Rich G.; Weldon, David J.; Organic Letters; vol. 2; nb. 24; (2000); p. 3913 3916, View in Reaxys; Guery, Sebastien; Schmitt, Martine; Bourguignon, Jean-Jacques; Synlett; nb. 12; (2002); p.

2003 - 2006, View in Reaxys; Sharghi, Hashem; Sarvari, Mona Hosseini; Tetrahedron; vol. 59; nb. 20; (2003); p.

3627 - 3633, View in Reaxys; Bodas, Mandar S.; Kumar, Pradeep; Tetrahedron Letters; vol. 45; nb. 46; (2004); p.

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8461 - 8463, View in Reaxys; Mandoli, Alessandro; Orlandi, Simonetta; Pini, Dario; Salvadori, Piero; Tetrahedron Asymmetry; vol. 15; nb. 20; (2004); p. 3233 - 3244, View in Reaxys; Kumar, Pradeep; Naidu, S. Vasudeva; Gupta, Priti; Journal of Organic Chemistry; vol. 70; nb. 7; (2005); p. 2843 - 2846, View in Reaxys; Keum, Gyochang; Hwang, Cheol Hee; Kang, Soon Bang; Kim, Youseung; Lee, Eun; Journal of the American Chemical Society; vol. 127; nb.

29; (2005); p. 10396 - 10399, View in Reaxys; Harmata, Michael; Rashatasakhon, Paitoon; Barnes, Charles L.; Canadian Journal of Chemistry; vol. 84; nb. 10; (2006); p. 1456 - 1469, View in Reaxys table 4, 3

Abraham, Raymond J.; Byrne, Jonathan J.; Griffiths, Lee; Perez, Manuel; Magnetic Resonance in Chemistry; vol.

44; nb. 5; (2006); p. 491 - 509, View in Reaxys

1,4-BTD

Mehta; Ram, Ganga; Bhasin; Journal of Chemical Thermodynamics; vol. 37; nb. 8; (2005); p. 791 - 801, View in Reaxys; Mehta; Ram, Ganga; Mani, Chander; Bhasin; Journal of Chemical Thermodynamics; vol. 38; nb. 7; (2006); p. 836 - 848, View in Reaxys

B&1%D

Rode; Tayade; Nadgeri; Jaganathan; Chaudhari; Organic Process Research and Development; vol. 10; nb. 2; (2006); p. 278 - 284, View in Reaxys

5a

Itoh, Akichika; Kodama, Tomohiro; Masaki, Yukio; Synlett; nb. 3; (1999); p. 357 - 359, View in Reaxys; Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji; Chemical Communications; nb. 29; (2005); p. 3658 - 3660, View in Reaxys

16

Murakami, Nobutoshi; Sugimoto, Masanori; Nakajima, Tatsuo; Kawanishi, Motoyuki; Tsutsui, Yasuhiro; Kobayashi, Motomasa; Bioorganic and Medicinal Chemistry; vol. 8; nb. 11; (2000); p. 2651 - 2661, View in Reaxys; Cami-Kobeci, Gerta; Slatford, Paul A.; Whittlesey, Michael K.; Williams, Jonathan M.J.; Bioorganic and Medicinal Chemistry Letters; vol. 15; nb. 3; (2005); p. 535 - 537, View in Reaxys

15a

Weik, Steffen; Nicholson, Graeme; Jung, Gnther; Rademann, Jrg; Angewandte Chemie - International Edition; vol.

40; nb. 8; (2001); p. 1436 - 1439, View in Reaxys; Sakaguchi, Kazuhiko; Yamada, Takeshi; Ohfune, Yasufumi; Tetrahedron Letters; vol. 46; nb. 30; (2005); p. 5009 - 5012, View in Reaxys

16a

Winum, Jean-Yves; Pastorekova, Silvia; Jakubickova, Lydia; Montero, Jean-Louis; Scozzafava, Andrea; Pastorek, Jaromir; Vullo, Daniela; Innocenti, Alessio; Supuran, Claudiu T.; Bioorganic and Medicinal Chemistry Letters; vol. 15; nb. 3; (2005); p. 579 - 584, View in Reaxys

precursor of 6

Cabianca, Elena; Tatibouet, Arnaud; Fabris, Fabrizio; De Lucchi, Ottorino; Rollin, Patrick; Tetrahedron Letters; vol. 46; nb. 6; (2005); p. 1035 - 1037, View in Reaxys

Substrate, Tab.2, run 2

Takeda, Shuzo; Chino, Masao; Kiuchi, Masatoshi; Adachi, Kunitomo; Tetrahedron Letters; vol. 46; nb. 31; (2005); p. 5169 - 5172, View in Reaxys

Ie

Oparina; Khil'ko; Chernyshova; Shaikhudinova; Parshina; Preiss; Henkelmann; Trofimov; Russian Journal of Organic Chemistry; vol. 41; nb. 5; (2005); p. 661 - 666, View in Reaxys

educt to tab.2 entry 6

Mukaiyama, Teruaki; Kuroda, Kiichi; Aoki, Hidenori; Chemistry Letters; vol. 34; nb. 12; (2005); p. 1644 - 1645, View in Reaxys

DBO

Mack; Eisenbach; Molecular Crystals and Liquid Crystals; vol. 431; (2005); p. 97/[397]-102/[402], View in Reaxys

88c

Hill, Timothy; Odell, Luke R.; Edwards, Jennifer K.; Graham, Mark E.; McGeachie, Andrew B.; Rusak, Jenny; Quan, Annie; Abagyan, Ruben; Scott, Janet L.; Robinson, Phillip J.; McCluskey, Adam; Journal of Medicinal Chemistry; vol. 48; nb. 24; (2005); p. 7781 - 7788, View in Reaxys

24

Nishihara, Masamichi; Perret, Florent; Takeuchi, Toshihide; Futaki, Shiroh; Lazar, Adina N.; Coleman, Anthony W.; Sakai, Naomi; Matile, Stefan; Organic and Biomolecular Chemistry; vol. 3; nb. 9; (2005); p. 1659 - 1669, View in Reaxys

11a

Okazoe, Takashi; Watanabe, Kunio; Itoh, Masahiro; Shirakawa, Daisuke; Kawahara, Kengo; Tatematsu, Shin; Journal of Fluorine Chemistry; vol. 126; nb. 4; (2005); p. 521 - 527, View in Reaxys

XXII-1

Patent; Kureha Chemical Industry Co., Ltd.; EP1550657; (2005); (A1) English, View in Reaxys

1,4-BDL

Carter, Lawrence P.; Flores, Lauren R.; Wu, Huifang; Chen, Weibin; Unzeitig, Andrew W.; Coop, Andy; France, Charles P.; Journal of Pharmacology and Experimental Therapeutics; vol. 305; nb. 2; (2003); p. 668 - 674, View in Reaxys; Carter; Unzeitig; Wu; Chen; Coop; Koek; France, Charles P.; Journal of Pharmacology and Experimental Therapeutics; vol. 309; nb. 2; (2004); p. 540 - 547, View in Reaxys

79c

Angehrn, Peter; Buchmann, Stefan; Funk, Christoph; Goetschi, Erwin; Gmuender, Hans; Hebeisen, Paul; Kostrewa, Dirk; Link, Helmut; Luebbers, Thomas; Masciadri, Raffaello; Nielsen, Joergen; Reindl, Peter; Ricklin, Fabienne; Schmitt-Hoffmann, Anne; Theil, Frank-Peter; Journal of Medicinal Chemistry; vol. 47; nb. 6; (2004); p.

1487 - 1513, View in Reaxys

BDL

Eckermann, Kary A.; Koek, Wouter; France, Charles P.; European Journal of Pharmacology; vol. 484; nb. 2-3; (2004); p. 259 - 262, View in Reaxys; Gerak, Lisa R.; Hicks, Alissa R.; Winsauer, Peter J.; Varner, Kurt J.; European Journal of Pharmacology; vol. 506; nb. 1; (2004); p. 75 - 82, View in Reaxys; McMahon, Lance R.; Coop, Andrew; France, Charles P.; Winger, Gail; Woolverton, William L.; European Journal of Pharmacology; vol. 466; nb. 1-2; (2003); p. 113 - 120, View in Reaxys

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10, n = 3

Li, Gong-Yong; Che, Chi-Ming; Organic Letters; vol. 6; nb. 10; (2004); p. 1621 - 1623, View in Reaxys

educt to BC n=4

Achten, Remko; Marcelis, Antonius T.M.; Koudijs, Arie; Sudhoelter, Ernst J.R.; Molecular Crystals and Liquid Crystals; vol. 411; (2004); p. 177/[1219]-184/[1226], View in Reaxys

Table 2. product 14

Kozhukhova; Yatluk; Suvorov; Koryakova; Russian Journal of Organic Chemistry; vol. 40; nb. 6; (2004); p. 759 762, View in Reaxys

HOCH2(CH2)nCH OH, n=2

Saito, Nozomi; Suhara, Yoshitomo; Kurihara, Masaaki; Fujishima, Toshie; Honzawa, Shinobu; Takayanagi, Hitoshi; Kozono, Toshiro; Matsumoto, Masahiko; Ohmori, Masayuki; Miyata, Naoki; Takayama, Hiroaki; Kittaka, Atsushi; Journal of Organic Chemistry; vol. 69; nb. 22; (2004); p. 7463 - 7471, View in Reaxys

Table 2, entry 6

Eshghi, Hossein; Shafieyoon, Parvaneh; Journal of Chemical Research; nb. 12; (2004); p. 802 - 805, View in Reaxys

53

Mans, Douglas M.; Pearson, William H.; Journal of Organic Chemistry; vol. 69; nb. 19; (2004); p. 6419 - 6426, View in Reaxys

HO-(CH2)4-OH

Liu, Jian Xiu; Saito, Shinichi; Yamamoto, Yoshinori; Tetrahedron Letters; vol. 41; nb. 21; (2000); p. 4201 - 4204, View in Reaxys; Ravindranath; Ramesh; Das; Synlett; nb. 11; (2001); p. 1777 - 1778, View in Reaxys; Mann, Stephane; Carillon, Sophie; Breyne, Olivier; Marquet, Andree; Chemistry (Weinheim an der Bergstrasse, Germany); vol. 8; nb. 2; (2002); p. 439 - 450, View in Reaxys; Muthusamy, Sengodagounder; Gunanathan, Chidambaram; Chemical Communications; nb. 3; (2003); p. 440 - 441, View in Reaxys; Aoki; Mihara; Koide; Molecular Crystals and Liquid Crystals; vol. 408; (2004); p. 53 - 70, View in Reaxys

Tab.1.col.2. run 11

Firouzabadi, Habib; Iranpoor, Nasser; Jafarpour, Maasoumeh; Tetrahedron Letters; vol. 45; nb. 40; (2004); p. 7451 - 7454, View in Reaxys

4c

Perez, Manuel; Canoa, Pilar; Gomez, Generosa; Teran, Carmen; Fall, Yagamare; Tetrahedron Letters; vol. 45; nb.

27; (2004); p. 5207 - 5209, View in Reaxys

BG

Behr, Arno; Urschey, Michael; Advanced Synthesis and Catalysis; vol. 345; nb. 11; (2003); p. 1242 - 1246, View in Reaxys; Yamauchi, Koji; Kanomata, Akinori; Inoue, Toshihide; Long, Timothy E.; Macromolecules; vol.

37; nb. 10; (2004); p. 3519 - 3522, View in Reaxys

diol, n=3

Amigues, Eric J.; Migaud, Marie E.; Tetrahedron Letters; vol. 45; nb. 5; (2004); p. 1001 - 1004, View in Reaxys

educt to 1c

Funaki, Takashi; Inokuma, Seiichi; Ide, Hayato; Yonekura, Tomomi; Nakamura, Yosuke; Nishimura, Jun; Tetrahedron Letters; vol. 45; nb. 11; (2004); p. 2393 - 2397, View in Reaxys

Tab.3.col.2. run 1

Hwu, Jih Ru; Hsu, Chuan-Yi; Jain, Moti L.; Tetrahedron Letters; vol. 45; nb. 26; (2004); p. 5151 - 5154, View in Reaxys

starting to 2

Caputo, Romualdo; Ciriello, Umberto; Festa, Pasquale; Guaragna, Annalisa; Palumbo, Giovanni; Pedatella, Silvana; European Journal of Organic Chemistry; nb. 14; (2003); p. 2617 - 2621, View in Reaxys

14a

Madhava Sharma, Gangavaram V.; Reddy, Ch. Govardhan; Krishna, Palakodety Radha; Journal of Organic Chemistry; vol. 68; nb. 11; (2003); p. 4574 - 4575, View in Reaxys

1, n=4

Srinivas; Mahender; Das, Biswanath; Synlett; nb. 15; (2003); p. 2419 - 2421, View in Reaxys

3 (n=3)

Agresta, Mandy; D'Arrigo, Paola; Fasoli, Ezio; Losi, Daniele; Pedrocchi-Fantoni, Giuseppe; Riva, Simona; Servi, Stefano; Tessaro, Davide; Chemistry and Physics of Lipids; vol. 126; nb. 2; (2003); p. 201 - 210, View in Reaxys

Btd

Satta, Rosalba; Dimitrijevic, Nikola; Manev, Hari; European Journal of Pharmacology; vol. 473; nb. 2-3; (2003); p.

149 - 152, View in Reaxys

Substrate, Tab.1,run Namboodiri, Vasudevan V; Varma, Rajender S; Tetrahedron Letters; vol. 43; nb. 7; (2002); p. 1143 - 1146, 13 View in Reaxys diol to 3b

Cabianca; Chery; Rollin; Tatibouet; De Lucchi; Tetrahedron Letters; vol. 43; nb. 4; (2002); p. 585 - 587, View in Reaxys

58

Kusakabe, Hirokazu; Yamakage, Kohji; Wakuri, Shinobu; Sasaki, Kiyoshi; Nakagawa, Yuzuki; Watanabe, Mika; Hayashi, Makoto; Sofuni, Toshio; Ono, Hiroshi; Tanaka, Noriho; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 517; nb. 1-2; (2002); p. 187 - 198, View in Reaxys

Substrate,n=2, Scheme 2

Clarke, Paul A.; Tetrahedron Letters; vol. 43; nb. 27; (2002); p. 4761 - 4763, View in Reaxys

VI, m = 4

Drzewinski; Dabrowski; Czuprynski; Polish Journal of Chemistry; vol. 76; nb. 2-3; (2002); p. 273 - 284, View in Reaxys

tab. 1, entry 4

Villa, Raffaella; Romano, Andrea; Gandolfi, Raffaella; Sinisterra Gago, Jose V.; Molinari, Francesco; Tetrahedron Letters; vol. 43; nb. 34; (2002); p. 6059 - 6061, View in Reaxys

substrate T. 3, e. 7

Ji, Hongbing; Mizugaki, Tomoo; Ebitani, Kohki; Kaneda, Kiyotomi; Tetrahedron Letters; vol. 43; nb. 40; (2002); p.

7179 - 7183, View in Reaxys

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2018-07-13 15:56:52

HOCH2(CH2)2CH 2OH

Singh, Chandan; Tiwari, Pallavi; Tetrahedron Letters; vol. 43; nb. 40; (2002); p. 7235 - 7237, View in Reaxys

9c

Khusnutdinov; Shchadneva; Baiguzina; Lavrentieva; Dzhemilev; Russian Chemical Bulletin; vol. 51; nb. 11; (2002); p. 2074 - 2079, View in Reaxys

T. 1 (diol, no 2)

Bouzide, Abderrahim; Sauve, Gilles; Organic Letters; vol. 4; nb. 14; (2002); p. 2329 - 2332, View in Reaxys

2(4)

Steel, William H.; Damkaci, Fehmi; Nolan, Ryan; Walker, Robert A.; Journal of the American Chemical Society; vol. 124; nb. 17; (2002); p. 4824 - 4831, View in Reaxys

12h

Arisawa, Mitsuhiro; Kaneko, Hiroaki; Nishida, Atsushi; Nakagawa, Masako; Journal of the Chemical Society. Perkin Transactions 1; nb. 7; (2002); p. 959 - 964, View in Reaxys

4b

Eras, Jordi; Mendez, Jonh Jairo; Balcells, Merce; Canela, Ramon; Journal of Organic Chemistry; vol. 67; nb. 24; (2002); p. 8631 - 8634, View in Reaxys

1u

Tohma, Hirofumi; Maegawa, Tomohiro; Takizawa, Shinobu; Kita, Yasuyuki; Advanced Synthesis and Catalysis; vol. 344; nb. 3-4; (2002); p. 328 - 337, View in Reaxys

B

Witt, Uwe; Yamamoto, Motonori; Seeliger, Ursula; Mueller, Rolf-Joachim; Warzelhan, Volker; Angewandte Chemie - International Edition; vol. 38; nb. 10; (1999); p. 1438 - 1442, View in Reaxys; Kitakuni; Yoshikawa; Nakano; Sasuga; Nobiki; Naoi; Yokota; Ishioka; Yakabe; Environmental Toxicology and Chemistry; vol. 20; nb. 5; (2001); p. 941 - 946, View in Reaxys

starting to 4

Xuan, Judy X.; Fry, Albert J.; Tetrahedron Letters; vol. 42; nb. 19; (2001); p. 3275 - 3277, View in Reaxys

Table 1, entry 19

Bartoli; Cupone; Dalpozzo; De Nino; Maiuolo; Marcantoni; Procopio; Synlett; nb. 12; (2001); p. 1897 - 1900, View in Reaxys

HOBuOH

Liu; Tam; Organic letters; vol. 3; nb. 26; (2001); p. 4157 - 4159, View in Reaxys

starting to 1

Nishide, Kiyoharu; Shibata, Kayoko; Fujita, Tetsuro; Kajimoto, Tetsuya; Wong, Chi-Huey; Node, Manabu; Heterocycles; vol. 52; nb. 3; (2000); p. 1191 - 1201, View in Reaxys

Ref. 9

Ramaseshan, Mahesh; Robitaille, Martin; Ellingboe, John W.; Dory, Yves L.; Deslongchamps, Pierre; Tetrahedron Letters; vol. 41; nb. 24; (2000); p. 4737 - 4742, View in Reaxys

3g

Choudary, Boyapati M.; Chowdari, Naidu S.; Kantam, Mannepalli L.; Tetrahedron; vol. 56; nb. 37; (2000); p. 7291 - 7298, View in Reaxys

B&1,4%

Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys

Tab., entry 5, educt

Sharma; Mahalingam; Prasad; Synlett; nb. 10; (2000); p. 1479 - 1481, View in Reaxys

19

Dixon, Darren J.; Ley, Steven V.; Reynolds, Dominic J.; Angewandte Chemie (International Edition in English); vol.

39; nb. 20; (2000); p. X3622-3626, View in Reaxys

educt to 1

Watanabe, Yoshihiko; Ishikawa, Satoshi; Takao, Gou; Toru, Takeshi; Tetrahedron Letters; vol. 40; nb. 17; (1999); p.

3411 - 3414, View in Reaxys

1,4 bu

Castronuovo, Giuseppina; Elia, Vittorio; Moniello, Vincenza; Velleca, Filomena; Perez-Casas, Silvia; Physical Chemistry Chemical Physics; vol. 1; nb. 8; (1999); p. 1887 - 1892, View in Reaxys

starting to 1a

Toy, Patrick H.; Janda, Kim D.; Tetrahedron Letters; vol. 40; nb. 35; (1999); p. 6329 - 6332, View in Reaxys

75

Altschuh, Joachim; Brueggemann, Rainer; Santl, Helmut; Eichinger, Gerhard; Piringer, Otto G.; Chemosphere; vol. 39; nb. 11; (1999); p. 1871 - 1887, View in Reaxys

Table 1, Entry 4

Meshram; Sumithra; Reddy; Ganesh; Yadav; Synthetic Communications; vol. 29; nb. 16; (1999); p. 2807 - 2815, View in Reaxys

(CH2CH2OH)2

Ma, Dawei; Zhang, Jianhua; Journal of the Chemical Society - Perkin Transactions 1; nb. 12; (1999); p. 1703 - 1707, View in Reaxys

6c

Itoh, Akichika; Kodama, Tomohiro; Maeda, Shiro; Masaki, Yukio; Tetrahedron Letters; vol. 39; nb. 51; (1998); p.

9461 - 9464, View in Reaxys

4d

Taniguchi, Takahiko; Ogasawara, Kunio; Angewandte Chemie - International Edition; vol. 37; nb. 8; (1998); p. 1136 1137, View in Reaxys

Patent-Specific Data (24) Prophetic ComLocation in Patent pound

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Patent; Liaoning University; Chen Lijiang; Li Yi; Wang Xin; Jia Dechao; Cui Qingguo; (14 pag.); CN106631808; (2017); (A) Chinese, View in Reaxys Patent; Nanjing University of Science and Technology; Xu Meng; Li Shun; Li Feng; (11 pag.); CN107235852; (2017); (A) Chinese, View in Reaxys Patent; LG Chemical Co., Ltd; Doyoung, Sir; Lee, Chung Hun; Jong, Sung Hwan; Mun, Ji Jung; Cho, Yoon - Hee; Park, Sang-un; (14 pag.); KR101600583; (2016); (B1) Korean, View in Reaxys Patent; LG Chem Co. Ltd.; Do, Yeong Shil; Lee, Chung Hoon; Cheong, Seung Hwan; Geum, Don Ho; Park, Sang Eun; Park, Hye Ung; (20 pag.); KR101588813; (2016); (B1) Korean, View in Reaxys Page/Page column

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Claim

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Patent; IMPERIAL CHEMICAL INDUSTRIES PLC; WO2009/10791; (2009); (A2) English, View in Reaxys Patent; DSM FINE CHEMICALS AUSTRIA NFG GMBH and CO KG; WO2009/80755; (2009); (A1) English, View in Reaxys Patent; Daiichi Sankyo Company, Limited; EP1935879; (2008); (A1) English, View in Reaxys Patent; General Electric Company; US2006/84822; (2006); (A1) English, View in Reaxys Patent; E. I. DU PONT DE NEMOURS AND COMPANY; WO2006/133332; (2006); (A2) English, View in Reaxys Patent; ASTRAZENECA UK LIMITED; ASTRAZENECA AB; WO2004/26808; (2004); (A1) English, View in Reaxys Patent; DINAMITE DIPHARMA S.P.A. (In Abbreviated form DIPHARMA S.P.A.); WO2004/43898; (2004); (A1) English, View in Reaxys Patent; CROMPTON CORPORATION; US2003/212291; (2003); (A1) English, View in Reaxys prophetic product

Claim

Patent; Berg; Lloyd; US5425854; (1995); (A) English, View in Reaxys; Patent; BROWN, DAVID A.; KHORLIN, ALEXANDER A.; LESIAK, KRYSTYNA; REN, WU YUN; US2002/141952; (2002); (A1) English, View in Reaxys; Patent; Chesebrough-Pond's USA Co., Division of Conopco, Inc.; US5196187; (1993); (A) English, View in Reaxys; Patent; UNILEVER PLC; UNILEVER N.V.; EP435483; (1991); (A2) English, View in Reaxys; Patent; Codon Pharmaceuticals, Inc.; US5990177; (1999); (A) English, View in Reaxys

Druglikeness (1) 1 of 1

LogP

-0.492

H Bond Donors

2

H Bond Acceptors

2

Rotatable Bonds

3

TPSA

40.46

Lipinski Number

4

Veber Number

2

Derivative (19) Comment (Derivative)

References

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1 of 13

Melting Point [°C]

21

Solonina; Rodnikova; Kiselev; Khoroshilov; Russian Journal of Physical Chemistry A; vol. 89; nb. 5; (2015); p. 910 - 913; Zh. Fiz. Khim.; vol. 89; nb. 5; (2015); p. 882 - 885,4, View in Reaxys 2 of 13

Melting Point [°C]

20

Location

Page/Page column 10

Patent; BASF SE; US2012/116099; (2012); (A1) English, View in Reaxys 3 of 13

Melting Point [°C]

292.6

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Melting Point [°C]

289

Maria, Teresa M. R.; Lopes Jesus; Eusebio, M. Ermelinda S.; Journal of Thermal Analysis and Calorimetry; vol. 100; nb. 2; (2010); p. 385 - 390, View in Reaxys 5 of 13

Melting Point [°C]

20.9

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Melting Point [°C]

16 - 16.2

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Melting Point [°C]

20.6

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Melting Point [°C]

16

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Melting Point [°C]

19

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Melting Point [°C]

20.1

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Melting Point [°C]

19.85 - 19.95

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Melting Point [°C]

20.6

Solvent (Melting Point)

diethyl ether; acetone

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Melting Point [°C]

19 - 19.5

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Pressure (Boiling Point) [Torr]

Location

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227 - 228

760

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0.1

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25

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12

Ray et al.; Journal of the Indian Chemical Society; vol. 38; (1961); p. 705, View in Reaxys

222 - 224

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117 - 120

10

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103

15

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103 - 105

5

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118

5

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232

760

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229.15

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136

24

Mukaiyama; Bulletin of the Chemical Society of Japan; vol. 28; (1955); p.

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91

1.4

Romanet; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 236; (1953); p. 1044, View in Reaxys

228

760

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102

2

Adkins; Billica; Journal of the American Chemical Society; vol. 70; (1948); p. 3121, View in Reaxys

148

30

Steele; Journal of the American Chemical Society; vol. 53; (1931); p. 286, View in Reaxys

127

20

Bennett; Heathcoat; Journal of the Chemical Society; (1929); p. 271, View in Reaxys

107 - 108

4

Kirner; Richter; Journal of the American Chemical Society; vol. 51; (1929); p. 2105, View in Reaxys

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230

759

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Refractive Index (40) Refractive Index Wavelength (ReTemperature (Refractive Index) [nm] fractive Index) [°C]

Comment (Refractive Index)

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589

20

Vasilev,L.S. et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 25; (1976); p. 2153 - 2159; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 25; (1976); p. 2308 - 2315, View in Reaxys

1.4471

589

20

Rakhmankulov; Maksimova; J. Appl. Chem. USSR (Engl. Transl.); vol. 48; (1975); p. 677,703, View in Reaxys

1.44499

589

25

Gardner; Hussain; Journal of Chemical Thermodynamics; vol. 4; (1972); p. 819,820,824-826, View in Reaxys

1.44637

589

20

Gardner; Hussain; Journal of Chemical Thermodynamics; vol. 4; (1972); p. 819,820,824-826, View in Reaxys

1.4452

589

25

Lipkin; Layloff; Journal of Chemical and Engineering Data; vol. 15; (1970); p. 450,451, View in Reaxys

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2018-07-13 15:56:52

1.447

589

20

Borisow; Siwriew; Izvestiya na Otdelenieto za Khimicheski Nauki (Bulgarska Akademiya na Naukite); vol. 3; (1970); p. 465,466, View in Reaxys

1.4479

589

20

Areshidze et al.; J. Appl. Chem. USSR (Engl.

Transl.); vol. 43; (1970); p. 601,606, View in Reaxys

1.4454

589

20

Myagkova,G.I. et al.; Zhurnal Organicheskoi Khimii; vol. 2; (1966); p. 1998 - 2003,1961 - 1965, View in Reaxys; Kraewskii et al.; Doklady Chemistry; vol. 146; (1962); p. 939; Doklady Akademii Nauk SSSR; vol. 146; (1962); p. 1349, View in Reaxys

1.4408

589

20

Fischer et al.; Pharmazeutische Zentralhalle; vol.

105; (1966); p. 73,74, View in Reaxys; Kartnig; Scientia Pharmaceutica; vol. 28; (1960); p. 36,38, View in Reaxys

1.4469

589

20

Kartnig; Kren; Scientia Pharmaceutica; vol. 31; (1963); p. 128,131, View in Reaxys

1.4463

589

20

Zweifel,G. et al.; Journal of the American Chemical Society; vol. 84; (1962); p. 190 - 195, View in Reaxys; Kunitica; Sakakibara; Nippon Kagaku Zasshi; vol. 81; (1960); p. 150,151; Chem.Abstr.; vol. 56; nb. 407; (1962), View in Reaxys

1.4467

589

20

Kirner; Richter; Journal of the American Chemical Society; vol. 51; (1929); p. 2505, View in Reaxys; Shadmanov; Uchenye Zapiski, Tashkentskii Vechernii Pedagogicheskii Institut; (1961); p. 89; Chem.Abstr.; vol. 58; nb. 5540c; (1963), View in Reaxys

1.443

589

20

Patent; du Pont de Nemours and Co.; US3060244; (1959); Chem.Abstr.; vol. 58; nb. 5572h; (1963), View in Reaxys; Patent; Du Pont de Nemours and Co.; US3008997; (1961); Chem.Abstr.; vol. 57; nb.

12534i; (1962), View in Reaxys

1.4446

589

25

Patent; General Anilin + Film Corp.; US2953605; (1960); Chem.Abstr.; vol. 55; nb. 3439g; (1961), View in Reaxys

1.4445

589

25

Adkins; Billica; Journal of the American Chemical Society; vol. 70; (1948); p. 3121, View in Reaxys

Density (82) 1 of 82

Density [g·cm-3]

1.0126

Measurement Temperature 24.99 [°C] Comment (Density)

Liquid

Sha, Feng; Zhao, Tianxiang; Guo, Bo; Ju, Xinxin; Li, Lihua; Zhang, Jianbin; Journal of Molecular Liquids; vol. 208; (2015); p. 373 - 379; Art.No: 4831, View in Reaxys; Yue, Xiaoqing; Zhao, Long; Ma, Liang; Shi, Huihu; Yang, Tingyu; Zhang, Jianbin; Journal of Molecular Liquids; vol. 263; (2018); p. 40 - 48, View in Reaxys 2 of 82

Density [g·cm-3]

1.0042

Measurement Temperature 39.99 [°C] Mohammadi, Leila; Omrani, Abdollah; Journal of Thermal Analysis and Calorimetry; vol. 131; nb. 2; (2018); p. 1527 - 1543, View in Reaxys 3 of 82

Density [g·cm-3]

1.0074

Measurement Temperature 34.99 [°C] Mohammadi, Leila; Omrani, Abdollah; Journal of Thermal Analysis and Calorimetry; vol. 131; nb. 2; (2018); p. 1527 - 1543, View in Reaxys 4 of 82

Density [g·cm-3]

1.0105

Copyright © 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

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Measurement Temperature 29.99 [°C] Mohammadi, Leila; Omrani, Abdollah; Journal of Thermal Analysis and Calorimetry; vol. 131; nb. 2; (2018); p. 1527 - 1543, View in Reaxys 5 of 82

Density [g·cm-3]

1.0128

Measurement Temperature 24.99 [°C] Mohammadi, Leila; Omrani, Abdollah; Journal of Thermal Analysis and Calorimetry; vol. 131; nb. 2; (2018); p. 1527 - 1543, View in Reaxys 6 of 82

Density [g·cm-3]

1.0005

Measurement Temperature 44.99 [°C] Comment (Density)

Liquid

Yue, Xiaoqing; Zhao, Long; Ma, Liang; Shi, Huihu; Yang, Tingyu; Zhang, Jianbin; Journal of Molecular Liquids; vol. 263; (2018); p. 40 - 48, View in Reaxys 7 of 82

Density [g·cm-3]

1.0035

Measurement Temperature 39.99 [°C] Comment (Density)

Liquid

Yue, Xiaoqing; Zhao, Long; Ma, Liang; Shi, Huihu; Yang, Tingyu; Zhang, Jianbin; Journal of Molecular Liquids; vol. 263; (2018); p. 40 - 48, View in Reaxys 8 of 82

Density [g·cm-3]

1.0064

Measurement Temperature 34.99 [°C] Comment (Density)

Liquid

Yue, Xiaoqing; Zhao, Long; Ma, Liang; Shi, Huihu; Yang, Tingyu; Zhang, Jianbin; Journal of Molecular Liquids; vol. 263; (2018); p. 40 - 48, View in Reaxys 9 of 82

Density [g·cm-3]

1.0097

Measurement Temperature 29.99 [°C] Comment (Density)

Liquid

Yue, Xiaoqing; Zhao, Long; Ma, Liang; Shi, Huihu; Yang, Tingyu; Zhang, Jianbin; Journal of Molecular Liquids; vol. 263; (2018); p. 40 - 48, View in Reaxys 10 of 82

Density [g·cm-3]

1.0158

Measurement Temperature 19.99 [°C] Comment (Density)

Liquid

Yue, Xiaoqing; Zhao, Long; Ma, Liang; Shi, Huihu; Yang, Tingyu; Zhang, Jianbin; Journal of Molecular Liquids; vol. 263; (2018); p. 40 - 48, View in Reaxys 11 of 82

Density [g·cm-3]

1.01322E-06

Measurement Temperature 24.99 [°C] Comment (Density)

Press = 101.3 kPa; Liquid

Ghanadzadeh Gilani; Moghadam; Hosseini; Journal of Molecular Liquids; vol. 231; (2017); p. 27 - 38, View in Reaxys 12 of 82

Density [g·cm-3]

1.0004

Measurement Temperature 44.99 [°C] Comment (Density)

Liquid

Copyright © 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

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Srinivasu; Narendra; Kavitha, Ch.; Subba Rao; Journal of Solution Chemistry; vol. 46; nb. 11; (2017); p. 2066 - 2090, View in Reaxys 13 of 82

Density [g·cm-3]

1.0038

Measurement Temperature 39.99 [°C] Comment (Density)

Liquid

Srinivasu; Narendra; Kavitha, Ch.; Subba Rao; Journal of Solution Chemistry; vol. 46; nb. 11; (2017); p. 2066 - 2090, View in Reaxys 14 of 82

Density [g·cm-3]

1.0068

Measurement Temperature 34.99 [°C] Comment (Density)

Liquid

Srinivasu; Narendra; Kavitha, Ch.; Subba Rao; Journal of Solution Chemistry; vol. 46; nb. 11; (2017); p. 2066 - 2090, View in Reaxys 15 of 82

Density [g·cm-3]

1.0094

Measurement Temperature 29.99 [°C] Comment (Density)

Liquid

Srinivasu; Narendra; Kavitha, Ch.; Subba Rao; Journal of Solution Chemistry; vol. 46; nb. 11; (2017); p. 2066 - 2090, View in Reaxys 16 of 82

Density [g·cm-3]

0.0010004

Measurement Temperature 44.99 [°C] Comment (Density)

Press = 0.1 MPa; Liquid

Srinivasu; Narendra; Srinivasa Krishna; Subba Rao; Journal of Molecular Liquids; vol. 216; (2016); p. 455 - 465, View in Reaxys 17 of 82

Density [g·cm-3]

0.0010038

Measurement Temperature 39.99 [°C] Comment (Density)

Press = 0.1 MPa; Liquid

Srinivasu; Narendra; Srinivasa Krishna; Subba Rao; Journal of Molecular Liquids; vol. 216; (2016); p. 455 - 465, View in Reaxys 18 of 82

Density [g·cm-3]

0.0010068

Measurement Temperature 34.99 [°C] Comment (Density)

Press = 0.1 MPa; Liquid

Srinivasu; Narendra; Srinivasa Krishna; Subba Rao; Journal of Molecular Liquids; vol. 216; (2016); p. 455 - 465, View in Reaxys 19 of 82

Density [g·cm-3]

0.0010094

Measurement Temperature 29.99 [°C] Comment (Density)

Press = 0.1 MPa; Liquid

Srinivasu; Narendra; Srinivasa Krishna; Subba Rao; Journal of Molecular Liquids; vol. 216; (2016); p. 455 - 465, View in Reaxys 20 of 82

Density [g·cm-3]

1.0009

Measurement Temperature 44.99 [°C] Comment (Density)

Liquid

Copyright © 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

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Sha, Feng; Zhao, Tianxiang; Guo, Bo; Ju, Xinxin; Li, Lihua; Zhang, Jianbin; Journal of Molecular Liquids; vol. 208; (2015); p. 373 - 379; Art.No: 4831, View in Reaxys 21 of 82

Density [g·cm-3]

1.0045

Measurement Temperature 39.99 [°C] Comment (Density)

Liquid

Sha, Feng; Zhao, Tianxiang; Guo, Bo; Ju, Xinxin; Li, Lihua; Zhang, Jianbin; Journal of Molecular Liquids; vol. 208; (2015); p. 373 - 379; Art.No: 4831, View in Reaxys 22 of 82

Density [g·cm-3]

1.0071

Measurement Temperature 34.99 [°C] Comment (Density)

Liquid

Sha, Feng; Zhao, Tianxiang; Guo, Bo; Ju, Xinxin; Li, Lihua; Zhang, Jianbin; Journal of Molecular Liquids; vol. 208; (2015); p. 373 - 379; Art.No: 4831, View in Reaxys 23 of 82

Density [g·cm-3]

1.0098

Measurement Temperature 29.99 [°C] Comment (Density)

Liquid

Sha, Feng; Zhao, Tianxiang; Guo, Bo; Ju, Xinxin; Li, Lihua; Zhang, Jianbin; Journal of Molecular Liquids; vol. 208; (2015); p. 373 - 379; Art.No: 4831, View in Reaxys 24 of 82

Density [g·cm-3]

1.0157

Measurement Temperature 19.99 [°C] Comment (Density)

Liquid

Sha, Feng; Zhao, Tianxiang; Guo, Bo; Ju, Xinxin; Li, Lihua; Zhang, Jianbin; Journal of Molecular Liquids; vol. 208; (2015); p. 373 - 379; Art.No: 4831, View in Reaxys 25 of 82

Density [g·cm-3]

1.01304

Measurement Temperature 24.99 [°C] Yang, Changsheng; Sun, Yankai; Qin, Zhenli; Feng, Yang; Zhang, Ping; Feng, Xue; Journal of Chemical and Engineering Data; vol. 59; nb. 4; (2014); p. 1273 - 1280, View in Reaxys 26 of 82

Density [g·cm-3]

1.01342

Measurement Temperature 24.99 [°C] Comment (Density)

Liquid

Ghanadzadeh Gilani; Ansari; Journal of Molecular Liquids; vol. 196; (2014); p. 270 - 279, View in Reaxys 27 of 82

Density [g·cm-3]

1.00021

Measurement Temperature 44.99 [°C] Comment (Density)

Press = 1 atm; Liquid

Hnedkovsky, Lubomir; Cibulka, Ivan; Journal of Chemical and Engineering Data; vol. 58; nb. 2; (2013); p. 388 - 397, View in Reaxys 28 of 82

Density [g·cm-3]

1.00628

Measurement Temperature 34.99 [°C] Comment (Density)

Press = 1 atm; Liquid

Hnedkovsky, Lubomir; Cibulka, Ivan; Journal of Chemical and Engineering Data; vol. 58; nb. 2; (2013); p. 388 - 397, View in Reaxys 29 of 82

Density [g·cm-3]

1.0093

Copyright © 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

23/127

2018-07-13 15:56:52

Measurement Temperature 29.99 [°C] Comment (Density)

Press = 1 atm; Liquid

Hnedkovsky, Lubomir; Cibulka, Ivan; Journal of Chemical and Engineering Data; vol. 58; nb. 2; (2013); p. 388 - 397, View in Reaxys 30 of 82

Density [g·cm-3]

1.01231

Measurement Temperature 24.99 [°C] Comment (Density)

Press = 1 atm; Liquid

Hnedkovsky, Lubomir; Cibulka, Ivan; Journal of Chemical and Engineering Data; vol. 58; nb. 2; (2013); p. 388 - 397, View in Reaxys 31 of 82

Density [g·cm-3]

1.017

Measurement Temperature 19.99 [°C] Checoni, Ricardo F.; Francesconi, Artur Z.; Journal of Solution Chemistry; vol. 38; nb. 8; (2009); p. 1055 - 1070, View in Reaxys 32 of 82

Reference Temperature [°C]

4

Measurement Temperature 20 [°C] Comment (Density)

Density: 1.0202

Mamedov; Piraliev; Rasulova; Russian Journal of Applied Chemistry; vol. 82; nb. 3; (2009); p. 518 - 520, View in Reaxys 33 of 82

Density [g·cm-3]

1.016

Measurement Temperature 20 [°C] Zhuravlev; Lifanova; Usacheva; Vydrina; Russian Journal of Physical Chemistry A; vol. 82; nb. 3; (2008); p. 490 - 491, View in Reaxys 34 of 82

Density [g·cm-3]

0.99441 - 1.01637

Measurement Temperature 19.99 - 54.99 [°C] Li, Qun-Sheng; Tian, Yuan-Ming; Wang, Shui; Journal of Chemical and Engineering Data; vol. 53; nb. 1; (2008); p. 271 274, View in Reaxys 35 of 82

Density [g·cm-3]

1.02

Measurement Temperature 19.84 [°C] Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys 36 of 82

Density [g·cm-3]

1.014

Measurement Temperature 29.84 [°C] Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys 37 of 82

Density [g·cm-3]

1.007

Measurement Temperature 39.84 [°C] Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys 38 of 82

Density [g·cm-3]

1

Measurement Temperature 49.84 [°C]

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Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys 39 of 82

Density [g·cm-3]

0.993

Measurement Temperature 59.84 [°C] Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys 40 of 82

Density [g·cm-3]

0.986

Measurement Temperature 69.84 [°C] Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys 41 of 82

Density [g·cm-3]

0.979

Measurement Temperature 79.84 [°C] Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys 42 of 82

Density [g·cm-3]

0.972

Measurement Temperature 89.84 [°C] Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys 43 of 82

Density [g·cm-3]

0.965

Measurement Temperature 99.84 [°C] Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys 44 of 82

Density [g·cm-3]

0.958

Measurement Temperature 109.84 [°C] Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys 45 of 82

Density [g·cm-3]

0.951

Measurement Temperature 119.84 [°C] Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys 46 of 82

Density [g·cm-3]

0.944

Measurement Temperature 129.84 [°C] Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys 47 of 82

Density [g·cm-3]

0.936

Measurement Temperature 139.84 [°C] Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys 48 of 82

Density [g·cm-3]

0.929

Measurement Temperature 149.84 [°C]

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Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys 49 of 82

Density [g·cm-3]

1.016

Reference Temperature [°C]

4

Measurement Temperature 20 [°C] Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys 50 of 82

Density [g·cm-3]

1.00076 - 1.01563

Reference Temperature [°C]

19.99

Measurement Temperature 44.99 [°C] Nain, Anil Kumar; Journal of Solution Chemistry; vol. 36; nb. 4; (2007); p. 497 - 516, View in Reaxys 51 of 82

Density [g·cm-3]

1.00395

Measurement Temperature 34.99 [°C] Mehta; Ram, Ganga; Mani, Chander; Bhasin; Journal of Chemical Thermodynamics; vol. 38; nb. 7; (2006); p. 836 - 848, View in Reaxys 52 of 82

Density [g·cm-3]

1.0126

Measurement Temperature 25 [°C] Comment (Density)

pressure dependence

Compostizo, Aurora; Diez-Pascual, Ana; Colin, Amalia Crespo; Rubio, Ramon G.; Journal of Chemical and Engineering Data; vol. 50; nb. 2; (2005); p. 591 - 595, View in Reaxys 53 of 82

Density [g·cm-3]

1.00395

Measurement Temperature 35 [°C] Mehta; Ram, Ganga; Bhasin; Journal of Chemical Thermodynamics; vol. 37; nb. 8; (2005); p. 791 - 801, View in Reaxys 54 of 82

Density [g·cm-3]

0.97271 - 1.01576

Measurement Temperature 20 - 90 [°C] Yang, Changsheng; Ma, Peisheng; Zhou, Qing; Journal of Chemical and Engineering Data; vol. 49; nb. 3; (2004); p. 582 587, View in Reaxys 55 of 82

Density [g·cm-3]

0.98793 - 1.01257

Measurement Temperature 25 - 65 [°C] George, John; Sastry, Nandhibatla V.; Journal of Chemical and Engineering Data; vol. 48; nb. 6; (2003); p. 1520 - 1539, View in Reaxys 56 of 82

Density [g·cm-3]

1.00078 - 1.01259

Measurement Temperature 25 - 45 [°C] Hawrylak, Brent; Gracie, Kim; Palepu; Journal of Solution Chemistry; vol. 27; nb. 1; (1998); p. 17 - 31, View in Reaxys 57 of 82

Density [g·cm-3]

1.00078 - 1.01259

Measurement Temperature 24.9 - 44.9 [°C] Hawrylak, Brent; Gracie, Kim; Palepu; Canadian Journal of Chemistry; vol. 76; nb. 4; (1998); p. 464 - 468, View in Reaxys 58 of 82

Density [g·cm-3]

1.012

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Measurement Temperature 25 [°C] Wang; Pottel; Kaatze; Journal of Physical Chemistry B; vol. 101; nb. 6; (1997); p. 922 - 929, View in Reaxys 59 of 82

Density [g·cm-3]

0.9848 - 1.01573

Measurement Temperature 20 - 70 [°C] Grineva; Zhuravlev; Journal of Chemical and Engineering Data; vol. 41; nb. 3; (1996); p. 604 - 607, View in Reaxys 60 of 82

Density [g·cm-3]

0.99409 - 1.01266

Measurement Temperature 25 - 55 [°C] Safonova, L. P.; Korolev, V. V.; Russian Journal of Applied Chemistry; vol. 67; nb. 9.1; (1994); p. 1301 - 1304; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 67; nb. 9; (1994); p. 1482 - 1485, View in Reaxys 61 of 82

Density [g·cm-3]

1.0002 - 1.0185

Measurement Temperature 45 [°C] Bald, Adam; Szejgin, Adam; Woznicka, Jadwiga; Jozwiak, Malgorzata; Journal of Chemical Research, Miniprint; nb. 4; (1992); p. 923 - 937, View in Reaxys 62 of 82

Density [g·cm-3]

0.899 - 1.0114

Measurement Temperature 30.1 - 187.1 [°C] Sun; DiGuillo; Teja; Journal of Chemical and Engineering Data; vol. 37; nb. 2; (1992); p. 246 - 248, View in Reaxys 63 of 82

Density [g·cm-3]

1.00415

Measurement Temperature 40 [°C] Czechowski; Zywucki; Jadzyn; Journal of Chemical and Engineering Data; vol. 33; nb. 1; (1988); p. 55 - 57, View in Reaxys 64 of 82

Density [g·cm-3]

1.01011

Measurement Temperature 30 [°C] Czechowski; Zywucki; Jadzyn; Journal of Chemical and Engineering Data; vol. 33; nb. 1; (1988); p. 55 - 57, View in Reaxys 65 of 82

Density [g·cm-3]

1.01622

Measurement Temperature 20 [°C] Czechowski; Zywucki; Jadzyn; Journal of Chemical and Engineering Data; vol. 33; nb. 1; (1988); p. 55 - 57, View in Reaxys 66 of 82

Density [g·cm-3]

1.014

Reference Temperature [°C]

4

Measurement Temperature 20 [°C] Musavirov et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 51; (1978); p. 2295,2184,2185-2187, View in Reaxys; De Lourdes Costa; Baszkin; Journal of Pharmacy and Pharmacology; vol. 37; nb. 7; (1985); p. 445 - 460, View in Reaxys 67 of 82

Density [g·cm-3]

1.009

Measurement Temperature 24.9 [°C] Idriss-Ali, K. M.; Freeman, Gordon R.; Canadian Journal of Chemistry; vol. 62; (1984); p. 2217 - 2222, View in Reaxys 68 of 82

Density [g·cm-3]

1.0127

Measurement Temperature 25 [°C] Safonova, L. P.; Egorova, I. V.; Krestov, G. A.; Russian Journal of Physical Chemistry; vol. 57; nb. 6; (1983); p. 941 - 942; Zhurnal Fizicheskoi Khimii; vol. 57; (1983); p. 1552 - 1554, View in Reaxys

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69 of 82

Density [g·cm-3]

1.0117

Measurement Temperature 25 [°C] Mandik, Lumir; Lesek, Frantisek; Collection of Czechoslovak Chemical Communications; vol. 47; nb. 6; (1982); p. 1686 1694, View in Reaxys 70 of 82

Apaev et al.; High Temperature; vol. 16; (1978); p. 575, View in Reaxys; Brunner; Journal of Chemical Thermodynamics; vol.

12; (1980); p. 993,995, 996, View in Reaxys

71 of 82

Density [g·cm-3]

1.02

Reference Temperature [°C]

4

Measurement Temperature 20 [°C] Rakhmankulov; Maksimova; J. Appl. Chem. USSR (Engl. Transl.); vol. 48; (1975); p. 677,703, View in Reaxys 72 of 82

Density [g·cm-3]

1.0209

Reference Temperature [°C]

4

Measurement Temperature 20 [°C] Areshidze et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 43; (1970); p. 601,606, View in Reaxys 73 of 82

Density [g·cm-3]

1.023

Reference Temperature [°C]

4

Measurement Temperature 20 [°C] Myagkova,G.I. et al.; Zhurnal Organicheskoi Khimii; vol. 2; (1966); p. 1998 - 2003,1961 - 1965, View in Reaxys; Kraewskii et al.; Doklady Chemistry; vol. 146; (1962); p. 939; Doklady Akademii Nauk SSSR; vol. 146; (1962); p. 1349, View in Reaxys 74 of 82

Density [g·cm-3]

1.0526

Reference Temperature [°C]

4

Measurement Temperature 20 [°C] Schuikin et al.; Acta Physica et Chemica; vol. 9; (1963); p. 124,126, View in Reaxys 75 of 82

Density [g·cm-3]

1.0171

Measurement Temperature 20 [°C] Shadmanov; Uchenye Zapiski, Tashkentskii Vechernii Pedagogicheskii Institut; (1961); p. 89; Chem.Abstr.; vol. 58; nb. 5540c; (1963), View in Reaxys 76 of 82

Density [g·cm-3]

1.0229

Reference Temperature [°C]

4

Measurement Temperature 20 [°C] Kunitica; Sakakibara; Nippon Kagaku Zasshi; vol. 81; (1960); p. 150,151; Chem.Abstr.; vol. 56; nb. 407; (1962), View in Reaxys 77 of 82

Density [g·cm-3]

1.0173

Reference Temperature [°C]

4

Measurement Temperature 20 [°C] Ketelaar; van Meurs; Recueil des Travaux Chimiques des Pays-Bas; vol. 76; (1957); p. 437,446,448, View in Reaxys

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78 of 82

Density [g·cm-3]

1.0018

Reference Temperature [°C]

4

Measurement Temperature 45 [°C] Ketelaar; van Meurs; Recueil des Travaux Chimiques des Pays-Bas; vol. 76; (1957); p. 437,446,448, View in Reaxys 79 of 82

Density [g·cm-3]

0.9859

Reference Temperature [°C]

4

Measurement Temperature 70 [°C] Ketelaar; van Meurs; Recueil des Travaux Chimiques des Pays-Bas; vol. 76; (1957); p. 437,446,448, View in Reaxys 80 of 82

Density [g·cm-3]

1.069

Reference Temperature [°C]

4

Measurement Temperature 20 [°C] Reppe et al.; Justus Liebigs Annalen der Chemie; vol. 596; (1955); p. 65, View in Reaxys 81 of 82

Density [g·cm-3]

1.0171

Reference Temperature [°C]

4

Measurement Temperature 20 [°C] Kirner; Richter; Journal of the American Chemical Society; vol. 51; (1929); p. 2505, View in Reaxys 82 of 82

Density [g·cm-3]

1.02

Measurement Temperature 20 [°C] Hamonet; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 132; (1901); p. 632; Bulletin de la Societe Chimique de France; vol. <3>33; (1905); p. 523, View in Reaxys Adsorption (MCS) (5) 1 of 5

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

Cu2(benzene-1,4-dicarboxylic acid)2(4,4’-(2-(phenyldiazenyl)-1,4-phenylene)dipyridine) metal–organic frameworks

Wang, Zhengbang; Grosjean, Sylvain; Bräse, Stefan; Heinke, Lars; ChemPhysChem; vol. 16; nb. 18; (2015); p. 3779 3783, View in Reaxys 2 of 5

Description (Adsorption (MCS))

Adsorption

Solvent (Adsorption (MCS))

chloroform-d1

Partner (Adsorption (MCS))

pillar[5]arene-containing porous material

Zhang, Zibin; Zhao, Qiang; Yuan, Jiayin; Antonietti, Markus; Huang, Feihe; Chemical Communications; vol. 50; nb. 20; (2014); p. 2595 - 2597, View in Reaxys 3 of 5

Description (Adsorption (MCS))

Adsorption isotherm

Solvent (Adsorption (MCS))

acetone

Temperature (Adsorption (MCS)) [°C]

19.9

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Partner (Adsorption (MCS))

silica gel

Goworek, Jacek; Oscik, Jaroslaw; Dabrowski, Andrzej; Polish Journal of Chemistry; vol. 55; nb. 1; (1981); p. 197 - 203, View in Reaxys 4 of 5

Description (Adsorption (MCS))

Adsorption

Dutkiewicz et al.; Journal of Electroanalytical Chemistry and Interfacial Electrochemistry; vol. 16; (1968); p. 505,510, View in Reaxys; Pulidori et al.; Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; vol. 74; (1978); p. 79, View in Reaxys; Apparav; Ramanamurti; Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; vol. 75; (1979); p. 2576, View in Reaxys 5 of 5

Description (Adsorption (MCS))

Enthalpy of adsorption

Apparav; Ramanamurti; Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; vol. 75; (1979); p. 2576, View in Reaxys Association (MCS) (52) 1 of 52

Description (Association (MCS))

Association with compound

Solvent (Association (MCS))

benzene

Temperature (Association (MCS)) [°C]

24.84

Partner (Association (MCS))

pyridine

Lomas, John S.; Cordier, Christine; Journal of Physical Organic Chemistry; vol. 22; nb. 4; (2009); p. 289 - 297, View in Reaxys; Lomas, John S.; Journal of Physical Organic Chemistry; vol. 24; nb. 2; (2011); p. 129 - 139, View in Reaxys 2 of 52

Description (Association (MCS))

IR spectrum of the complex

Solvent (Association (MCS))

CH2Cl2

Temperature (Association (MCS)) [°C]

32

Partner (Association (MCS))

pyridine

Kolbe, Alfred; Plass, Monika; Zeitschrift fur Physikalische Chemie; vol. 217; nb. 11; (2003); p. 1411 - 1426, View in Reaxys 3 of 52

Description (Association (MCS))

IR spectrum of the complex

Solvent (Association (MCS))

CH2Cl2

Temperature (Association (MCS)) [°C]

32

Partner (Association (MCS))

2,4-lutidine

Kolbe, Alfred; Plass, Monika; Zeitschrift fur Physikalische Chemie; vol. 217; nb. 11; (2003); p. 1411 - 1426, View in Reaxys 4 of 52

Description (Association (MCS))

IR spectrum of the complex

Solvent (Association (MCS))

CH2Cl2

Temperature (Association (MCS)) [°C]

32

Partner (Association (MCS))

2,4,6-trimethyl-pyridine

Kolbe, Alfred; Plass, Monika; Zeitschrift fur Physikalische Chemie; vol. 217; nb. 11; (2003); p. 1411 - 1426, View in Reaxys

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Description (Association (MCS))

Association with compound

Solvent (Association (MCS))

CH2Cl2

Temperature (Association (MCS)) [°C]

12

Partner (Association (MCS))

2,4-lutidine

Kolbe, Alfred; Plass, Monika; Zeitschrift fur Physikalische Chemie; vol. 217; nb. 11; (2003); p. 1411 - 1426, View in Reaxys 6 of 52

Description (Association (MCS))

Association with compound

Solvent (Association (MCS))

CH2Cl2

Temperature (Association (MCS)) [°C]

12

Partner (Association (MCS))

2,4,6-trimethyl-pyridine

Kolbe, Alfred; Plass, Monika; Zeitschrift fur Physikalische Chemie; vol. 217; nb. 11; (2003); p. 1411 - 1426, View in Reaxys 7 of 52

Description (Association (MCS))

Association with compound

Solvent (Association (MCS))

CH2Cl2

Temperature (Association (MCS)) [°C]

12

Partner (Association (MCS))

pyridine

Kolbe, Alfred; Plass, Monika; Zeitschrift fur Physikalische Chemie; vol. 217; nb. 11; (2003); p. 1411 - 1426, View in Reaxys 8 of 52

Description (Association (MCS))

Stability constant of the complex with ...

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

alpha cyclodextrin

Spildo, Kristine; Hoiland, Harald; Journal of Solution Chemistry; vol. 31; nb. 2; (2002); p. 149 - 164, View in Reaxys 9 of 52

Description (Association (MCS))

Stability constant of the complex with ...

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

α-cyclodextrin

Spildo, Kristine; Hoiland, Harald; Journal of Solution Chemistry; vol. 31; nb. 2; (2002); p. 149 - 164, View in Reaxys 10 of 52

Description (Association (MCS))

Further physical properties of the complex

Solvent (Association (MCS))

aq. HCl

Temperature (Association (MCS)) [°C]

24.85

Partner (Association (MCS))

Adipic acid

Castronuovo; Elia; Niccoli; Velleca; Physical Chemistry Chemical Physics; vol. 3; nb. 12; (2001); p. 2488 - 2492, View in Reaxys

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Description (Association (MCS))

Association with compound

Temperature (Association (MCS)) [°C]

20

Partner (Association (MCS))

1 ,5-pentanediol

Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys 12 of 52

Description (Association (MCS))

Association with compound

Temperature (Association (MCS)) [°C]

20

Partner (Association (MCS))

trimethyleneglycol; ethylene glycol

Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys 13 of 52

Description (Association (MCS))

Association with compound

Temperature (Association (MCS)) [°C]

20

Partner (Association (MCS))

trimethyleneglycol; 1 ,5-pentanediol

Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys 14 of 52

Description (Association (MCS))

Association with compound

Temperature (Association (MCS)) [°C]

20

Partner (Association (MCS))

trimethyleneglycol

Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys 15 of 52

Description (Association (MCS))

Further physical properties of the complex

Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

24.85

Partner (Association (MCS))

ethanol

Castronuovo, Giuseppina; Elia, Vittorio; Moniello, Vincenza; Velleca, Filomena; Perez-Casas, Silvia; Physical Chemistry Chemical Physics; vol. 1; nb. 8; (1999); p. 1887 - 1892, View in Reaxys 16 of 52

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

acetic acid

Temperature (Association (MCS)) [°C]

14.85 - 44.85

Partner (Association (MCS))

hexamethylenetetramine-bromine complex

Gangwani, Hemlata; Sharma, Pradeep K.; Banerji, Kalyan K.; Journal of Chemical Research, Miniprint; nb. 3; (1999); p.

854 - 871, View in Reaxys 17 of 52

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

dimethylsulfoxide

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Temperature (Association (MCS)) [°C]

14.85 - 44.85

Partner (Association (MCS))

quinolinium fluorochromate

Choudhary, Kirti; Sharma, Pradeep K.; Banerji, Kalyan K.; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 38; nb. 4; (1999); p. 325 - 330, View in Reaxys 18 of 52

Description (Association (MCS))

Further physical properties of the complex

Solvent (Association (MCS))

dimethylsulfoxide

Partner (Association (MCS))

quinolinium fluorochromate

Choudhary, Kirti; Sharma, Pradeep K.; Banerji, Kalyan K.; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 38; nb. 4; (1999); p. 325 - 330, View in Reaxys 19 of 52

Description (Association (MCS))

Association with compound

Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

alpha cyclodextrin

Andini, Salvatore; Castronuovo, Giuseppina; Elia, Vittorio; Galotta, Enrico; Carbohydrate Research; vol. 217; nb. 1; (1991); p. 87 - 98, View in Reaxys; Castronuovo, Giuseppina; Elia, Vittorio; Niccoli, Marcella; Velleca, Filomena; Viscardi, Giuseppe; Carbohydrate Research; vol. 306; nb. 1-2; (1998); p. 147 - 155, View in Reaxys 20 of 52

Description (Association (MCS))

Enthalpy of association

Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

alpha cyclodextrin

Andini, Salvatore; Castronuovo, Giuseppina; Elia, Vittorio; Galotta, Enrico; Carbohydrate Research; vol. 217; nb. 1; (1991); p. 87 - 98, View in Reaxys; Castronuovo, Giuseppina; Elia, Vittorio; Niccoli, Marcella; Velleca, Filomena; Viscardi, Giuseppe; Carbohydrate Research; vol. 306; nb. 1-2; (1998); p. 147 - 155, View in Reaxys 21 of 52

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

alpha cyclodextrin

Castronuovo, Giuseppina; Elia, Vittorio; Niccoli, Marcella; Velleca, Filomena; Viscardi, Giuseppe; Carbohydrate Research; vol. 306; nb. 1-2; (1998); p. 147 - 155, View in Reaxys 22 of 52

Description (Association (MCS))

Further physical properties of the complex

Temperature (Association (MCS)) [°C]

25 - 45

Partner (Association (MCS))

H2O

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Hawrylak, Brent; Andrecyk, Stacey; Gabriel, Carrie-Ellen; Gracie, Kim; Palepu; Journal of Solution Chemistry; vol. 27; nb. 9; (1998); p. 827 - 841, View in Reaxys 23 of 52

Description (Association (MCS))

Further physical properties of the complex

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

water

Ishihara, Yoshimasa; Okouchi, Shoichi; Uedaira, Hisashi; Journal of the Chemical Society - Faraday Transactions; vol. 93; nb. 18; (1997); p. 3337 - 3342, View in Reaxys 24 of 52

Description (Association (MCS))

Further physical properties of the complex

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

dimethyl sulfoxide

Inglese, Americo; Mavelli, Fabio; De Lisi, Rosario; Milioto, Stefania; Journal of Solution Chemistry; vol. 26; nb. 3; (1997); p. 319 - 336, View in Reaxys 25 of 52

Description (Association (MCS))

Further physical properties of the complex

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

N,N-dimethyl-formamide

Inglese, Americo; Mavelli, Fabio; De Lisi, Rosario; Milioto, Stefania; Journal of Solution Chemistry; vol. 26; nb. 3; (1997); p. 319 - 336, View in Reaxys 26 of 52

Description (Association (MCS))

Further physical properties of the complex

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

formamide

Inglese, Americo; Mavelli, Fabio; De Lisi, Rosario; Milioto, Stefania; Journal of Solution Chemistry; vol. 26; nb. 3; (1997); p. 319 - 336, View in Reaxys 27 of 52

Description (Association (MCS))

Further physical properties of the complex

Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

NaCl

Taniewska-Osinska; Pietrzak; Journal of Chemical Thermodynamics; vol. 29; nb. 11; (1997); p. 1333 - 1341, View in Reaxys 28 of 52

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

alpha cyclodextrin

Yoshihara, Kazunobu; Tanemura, Izumi; Saito, Yoshihiro; Ueda, Haruhisa; Sato, Takatoshi; Chemical and Pharmaceutical Bulletin; vol. 45; nb. 12; (1997); p. 2076 - 2078, View in Reaxys

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Description (Association (MCS))

IR spectrum of the complex

Partner (Association (MCS))

1,1,6,6-tetra(2,4-dimethylphenyl)-2,4-hexadiyne-1,6-diol

Takumi, Hideaki; Koga, Minekazu; Toda, Fumio; Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals; vol. 277; (1996); p. 79 - 86, View in Reaxys 30 of 52

Description (Association (MCS))

Further physical properties of the complex

Partner (Association (MCS))

1,1,6,6-tetra(2,4-dimethylphenyl)-2,4-hexadiyne-1,6-diol

Takumi, Hideaki; Koga, Minekazu; Toda, Fumio; Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals; vol. 277; (1996); p. 79 - 86, View in Reaxys 31 of 52

Description (Association (MCS))

Further physical properties of the complex

Solvent (Association (MCS))

aq. HCl

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

water

Castronuovo, Giuseppina; Elia, Vittorio; Velleca, Filomena; Journal of Solution Chemistry; vol. 25; nb. 10; (1996); p. 971 982, View in Reaxys 32 of 52

Description (Association (MCS))

Further physical properties of the complex

Temperature (Association (MCS)) [°C]

21.9

Partner (Association (MCS))

C94H116N4O10(2-)*Zn(2+)

Law-Bonar, Richard P.; Sanders, Jeremy K. M.; Journal of the American Chemical Society; vol. 117; nb. 1; (1995); p. 259 271, View in Reaxys 33 of 52

Description (Association (MCS))

Further physical properties of the complex

Temperature (Association (MCS)) [°C]

21.9

Partner (Association (MCS))

C48H48N4O4(2-)*Zn(2+)

Law-Bonar, Richard P.; Sanders, Jeremy K. M.; Journal of the American Chemical Society; vol. 117; nb. 1; (1995); p. 259 271, View in Reaxys 34 of 52

Description (Association (MCS))

Further physical properties of the complex

Solvent (Association (MCS))

CH2Cl2

Temperature (Association (MCS)) [°C]

21.9

Partner (Association (MCS))

zinc 5,10,15,20-tetraphenylporphyrin

Law-Bonar, Richard P.; Sanders, Jeremy K. M.; Journal of the American Chemical Society; vol. 117; nb. 1; (1995); p. 259 271, View in Reaxys 35 of 52

Description (Association (MCS))

Association with compound

Temperature (Association (MCS)) [°C]

26.9 - 326.9

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Pressure (Association (MCS)) [Torr]

2-6

Partner (Association (MCS))

Cl(1-)

Zhang, Wan; Beglinger, Ch.; Stone, John A.; Journal of Physical Chemistry; vol. 99; nb. 30; (1995); p. 11673 - 11679, View in Reaxys 36 of 52

Description (Association (MCS))

Stability constant of the complex with ...

Temperature (Association (MCS)) [°C]

24.9 - 39.9

Partner (Association (MCS))

pyridinium fluorochromate

Khanchandani, Ritu; Sharma, Pradeep; Banerji, Kalyan K.; Journal of Chemical Research, Miniprint; nb. 11; (1995); p.

2622 - 2641, View in Reaxys 37 of 52

Description (Association (MCS))

Further physical properties of the complex

Temperature (Association (MCS)) [°C]

24.9 - 39.9

Partner (Association (MCS))

pyridinium fluorochromate

Khanchandani, Ritu; Sharma, Pradeep; Banerji, Kalyan K.; Journal of Chemical Research, Miniprint; nb. 11; (1995); p.

2622 - 2641, View in Reaxys 38 of 52

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

D2O

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

alpha cyclodextrin

Andini, Salvatore; Castronuovo, Giuseppina; Elia, Vittorio; Galotta, Enrico; Carbohydrate Research; vol. 217; nb. 1; (1991); p. 87 - 98, View in Reaxys 39 of 52

Description (Association (MCS))

Stability constant of the complex with ...

Temperature (Association (MCS)) [°C]

15 - 35

Partner (Association (MCS))

alpha cyclodextrin

Bastos, M.; Briggner, L. -E.; Shehatta, I.; Wadsoe, I.; Journal of Chemical Thermodynamics; vol. 22; nb. 12; (1990); p. 1181 - 1190, View in Reaxys 40 of 52

Description (Association (MCS))

Enthalpy of association

Temperature (Association (MCS)) [°C]

15 - 35

Partner (Association (MCS))

alpha cyclodextrin

Bastos, M.; Briggner, L. -E.; Shehatta, I.; Wadsoe, I.; Journal of Chemical Thermodynamics; vol. 22; nb. 12; (1990); p. 1181 - 1190, View in Reaxys 41 of 52

Description (Association (MCS))

IR spectrum of the complex

Solvent (Association (MCS))

CCl4

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Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

nitromethane

Kleeberg, H.; Klein, D.; Luck, W. A. P.; Journal of Physical Chemistry; vol. 91; nb. 12; (1987); p. 3200 - 3203, View in Reaxys 42 of 52

Description (Association (MCS))

IR spectrum of the complex

Solvent (Association (MCS))

CCl4

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

acetonitrile

Kleeberg, H.; Klein, D.; Luck, W. A. P.; Journal of Physical Chemistry; vol. 91; nb. 12; (1987); p. 3200 - 3203, View in Reaxys 43 of 52

Description (Association (MCS))

IR spectrum of the complex

Solvent (Association (MCS))

CCl4

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

diethyl ether

Kleeberg, H.; Klein, D.; Luck, W. A. P.; Journal of Physical Chemistry; vol. 91; nb. 12; (1987); p. 3200 - 3203, View in Reaxys 44 of 52

Description (Association (MCS))

IR spectrum of the complex

Solvent (Association (MCS))

CCl4

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

dimethyl sulfoxide

Kleeberg, H.; Klein, D.; Luck, W. A. P.; Journal of Physical Chemistry; vol. 91; nb. 12; (1987); p. 3200 - 3203, View in Reaxys 45 of 52

Description (Association (MCS))

IR spectrum of the complex

Solvent (Association (MCS))

CCl4

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

pyridine

Kleeberg, H.; Klein, D.; Luck, W. A. P.; Journal of Physical Chemistry; vol. 91; nb. 12; (1987); p. 3200 - 3203, View in Reaxys 46 of 52

Description (Association (MCS))

IR spectrum of the complex

Solvent (Association (MCS))

CCl4

Temperature (Association (MCS)) [°C]

25

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Partner (Association (MCS))

triethylamine

Kleeberg, H.; Klein, D.; Luck, W. A. P.; Journal of Physical Chemistry; vol. 91; nb. 12; (1987); p. 3200 - 3203, View in Reaxys 47 of 52

Description (Association (MCS))

IR spectrum of the complex

Solvent (Association (MCS))

CCl4

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

ethyl acetate

Kleeberg, H.; Klein, D.; Luck, W. A. P.; Journal of Physical Chemistry; vol. 91; nb. 12; (1987); p. 3200 - 3203, View in Reaxys 48 of 52

Description (Association (MCS))

IR spectrum of the complex

Solvent (Association (MCS))

CCl4

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

acetone

Kleeberg, H.; Klein, D.; Luck, W. A. P.; Journal of Physical Chemistry; vol. 91; nb. 12; (1987); p. 3200 - 3203, View in Reaxys 49 of 52

Description (Association (MCS))

IR spectrum of the complex

Solvent (Association (MCS))

CCl4

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

tetrahydrofuran

Kleeberg, H.; Klein, D.; Luck, W. A. P.; Journal of Physical Chemistry; vol. 91; nb. 12; (1987); p. 3200 - 3203, View in Reaxys 50 of 52

Description (Association (MCS))

Further physical properties of the complex

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

methyl 4-hydroxylbenzoate

Martin; Wu; Beerbower; Journal of Pharmaceutical Sciences; vol. 73; nb. 2; (1984); p. 188 - 194, View in Reaxys 51 of 52

Description (Association (MCS))

IR spectrum of the complex

Solvent (Association (MCS))

CCl4

Partner (Association (MCS))

silica

Neagle, William; Rochester, Colin H.; Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; vol. 79; (1983); p. 263 - 268, View in Reaxys 52 of 52

Description (Association (MCS))

Further physical properties of the complex

Temperature (Association (MCS)) [°C]

5 - 25

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Partner (Association (MCS))

H2O

Hoiland, Harald; Journal of Solution Chemistry; vol. 9; (1980); p. 857 - 866, View in Reaxys Boundary Surface Phenomena (MCS) (5) 1 of 5

Description (Boundary Surface Phenomena (MCS))

Surface tension

Comment (Boundary Surface Phenomena (MCS))

concentration dependence. Object(s) of Study: temperature dependence. Object(s) of Study: diagram

Partner (Boundary Surface 1-dodecyl alcohol Phenomena (MCS)) DiI ez-Pascual, Ana; Ortega, Francisco; Crespo-ColiI n, Amalia; Compostizo, Aurora; Monroy, Francisco; Rubio, RamoI n G.; Journal of Physical Chemistry B; vol. 108; nb. 28; (2004); p. 10019 - 10024, View in Reaxys 2 of 5

Description (Boundary Surface Phenomena (MCS))

Further surface properties

Comment (Boundary Surface Phenomena (MCS))

concentration dependence. Object(s) of Study: temperature dependence. Object(s) of Study: diagram

Partner (Boundary Surface 1-dodecyl alcohol Phenomena (MCS)) DiI ez-Pascual, Ana; Ortega, Francisco; Crespo-ColiI n, Amalia; Compostizo, Aurora; Monroy, Francisco; Rubio, RamoI n G.; Journal of Physical Chemistry B; vol. 108; nb. 28; (2004); p. 10019 - 10024, View in Reaxys 3 of 5

Description (Boundary Surface Phenomena (MCS))

Surface tension

Temperature (Boundary Surface Phenomena (MCS)) [°C]

25

Partner (Boundary Surface H2O Phenomena (MCS)) Hawrylak, Brent; Andrecyk, Stacey; Gabriel, Carrie-Ellen; Gracie, Kim; Palepu; Journal of Solution Chemistry; vol. 27; nb. 9; (1998); p. 827 - 841, View in Reaxys 4 of 5

Description (Boundary Surface Phenomena (MCS))

Surface tension

Kato; Chemical and Pharmaceutical Bulletin; vol. 10; (1962); p. 771,772, View in Reaxys 5 of 5

Description (Boundary Surface Phenomena (MCS))

Contact angle with compound

Temperature (Boundary Surface Phenomena (MCS)) [°C]

20

Partner (Boundary Surface perfluorodecanoic acid Phenomena (MCS)) Schulman; Zisman; J.Colloid Sci.; vol. 7; (1952); p. 465,468, View in Reaxys Chromatographic Data (7) Chromatographic Original string data GC (Gas chromatography)

Location

References

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17; (2013); p. 2225 - 2228, View in Reaxys; Yang, Yi; Chi, Yu Tse; Toh, Hui Hung; Li, Zhi; Chemical Communications; vol. 51; nb. 5; (2015); p.

914 - 917, View in Reaxys; Tan, Xuefeng; Wang, Yan; Liu, Yuanhua; Wang, Fangyuan; Shi, Liyang; Lee, Ka-Ho; Lin, Zhenyang; Lv, Hui; Zhang, Xumu; Organic Letters; vol. 17; nb. 3; (2015); p. 454 - 457,

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View in Reaxys; Huang, Lei; Romero, Elvira; Ressmann, Anna K.; Rudroff, Florian; Hollmann, Frank; Fraaije, Marco W.; Kara, Selin; Advanced Synthesis and Catalysis; vol. 359; nb. 12; (2017); p. 2142 - 2148, View in Reaxys GC (Gas chromatography)

Paragraph 0007; 0048

HPLC (High performance liquid chromatography)

Koenst, Paul; Kara, Selin; Kochius, Svenja; Holtmann, Dirk; Arends, Isabel W. C. E.; Ludwig, Roland; Hollmann, Frank; ChemCatChem; vol.

5; nb. 10; (2013); p. 3027 - 3032, View in Reaxys; Takagaki, Atsushi; Catalysis Science and Technology; vol. 6; nb. 3; (2016); p. 791 - 799, View in Reaxys

HPLC (High performance liquid chromatography)

supporting informa- Tasndi, Gbor; Lukesch, Michael; Zechner, Michaela; Jud, Wolfgang; tion Hall, Mlanie; Ditrich, Klaus; Baldenius, Kai; Hartog, Aloysius F.; Wever, Ron; Faber, Kurt; European Journal of Organic Chemistry; vol. 2016; nb. 1; (2016); p. 45 - 50, View in Reaxys

GC (Gas chromatography)

HPLC (High performance liquid chromatography)

Labruyere, Celine; Talon, Olivier; Berezina, Nathalie; Khousakoun, Eric; Jerome, Christine; RSC Advances; vol. 4; nb. 73; (2014); p. 38643 38648, View in Reaxys; pnik, Ivan; irka, Lubo; Mjek, Pavel; Chemical Papers; vol. 69; nb. 3; (2015); p. 395 - 401, View in Reaxys; Zuhse, Ralf; Leggewie, Christian; Hollmann, Frank; Kara, Selin; Organic Process Research and Development; vol. 19; nb. 2; (2015); p. 369 - 372, View in Reaxys 26.2 min retention time

TLC (Thin layer chromatography) Bulk Viscosity (1) Bulk Viscosity [P] 0.091 - 0.677

Patent; AMOREPACIFIC Co., Ltd.; Jang Hui-gyeong; Kim Beom-jun; Ra Chan-su; Baek Seok-yun; Jeong Jin-o; (14 pag.); KR101797949; (2017); (B1) Korean, View in Reaxys

Page/Page column 17

Patent; Sieber, Volker; Pick, André; Rühmann, Broder; US9169500; (2015); (B2) English, View in Reaxys

supporting informa- Santra, Surojit; Guin, Joyram; European Journal of Organic Chemistry; tion vol. 2015; nb. 33; (2015); p. 7253 - 7257, View in Reaxys Temperature (Bulk Viscosity) [°C]

References

20 - 60

Zhumaev, T.; Adamenkova, M. D.; Russian Journal of Physical Chemistry; vol. 57; nb. 3; (1983); p. 475 - 476; Zhurnal Fizicheskoi Khimii; vol. 57; (1983); p. 775 - 776, View in Reaxys

Compressibility (2) Description (Com- Comment (Compressibility) pressibility) Adiabatic compressibility

References Harada et al.; Journal of Solution Chemistry; vol. 7; (1978); p. 463, View in Reaxys; Zhumaev, T.; Adamenkova, M. D.; Russian Journal of Physical Chemistry; vol. 57; nb. 3; (1983); p. 475 476; Zhurnal Fizicheskoi Khimii; vol. 57; (1983); p. 775 - 776, View in Reaxys; Safonova, L. P.; Korolev, V. V.; Russian Journal of Applied Chemistry; vol. 67; nb. 9.1; (1994); p. 1301 - 1304; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 67; nb. 9; (1994); p. 1482 1485, View in Reaxys

Adiabatic compres- bei 20grad(aus der Litovitz et al.; Journal of Chemical Physics; vol. 22; (1954); p. 1281, View in Reaxys sibility Schallgeschwindigkeit ermittelt.

Conformation (3) Object of Investiga- References tion Conformation

Evangelisti, Luca; Gou, Qian; Spada, Lorenzo; Feng, Gang; Caminati, Walther; Chemical Physics Letters; vol.

556; (2013); p. 55 - 58, View in Reaxys

Conformation

Ditter; Luck; Berichte der Bunsen-Gesellschaft; vol. 73; (1969); p. 526,532, View in Reaxys; Traetteberg, Marit; Hedberg, Kenneth; Journal of the American Chemical Society; vol. 116; nb. 4; (1994); p. 1382 - 1387, View in Reaxys; Shagidullin, Rif. R.; Chernova, A. V.; Shagidullin, R. R.; Russian Chemical Bulletin; vol. 42; nb. 9; (1993); p. 1505 1510; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 9; (1993); p. 1572 - 1577, View in Reaxys

Energy difference between the conformers

Shagidullin, Rif. R.; Chernova, A. V.; Shagidullin, R. R.; Russian Chemical Bulletin; vol. 42; nb. 9; (1993); p. 1505 1510; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 9; (1993); p. 1572 - 1577, View in Reaxys

Critical Micelle Concentration (MCS) (2)

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Critical Micelle Concentration [g·l-1]

Temperature (Critical Micelle Concentration (MCS)) [°C]

References

411.848

20

Coudert, Robert; Durand, Rene R.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 84; nb. 9; (1987); p. 1021 - 1028, View in Reaxys Kato; Chemical and Pharmaceutical Bulletin; vol. 10; (1962); p. 771,772, View in Reaxys

Critical Pressure (2) Critical Pressure References [Torr] 41403.3

Wilson, Grant M.; VonNiederhausern, David M.; Giles, Neil F.; Journal of Chemical and Engineering Data; vol. 47; nb. 4; (2002); p. 761 - 764, View in Reaxys

46653.7

Wilson; Wilding; Journal of Chemical and Engineering Data; vol. 41; nb. 6; (1996); p. 1252 - 1254, View in Reaxys

Critical Temperature (2) Critical TemperaReferences ture [°C] 450.65

Wilson, Grant M.; VonNiederhausern, David M.; Giles, Neil F.; Journal of Chemical and Engineering Data; vol. 47; nb. 4; (2002); p. 761 - 764, View in Reaxys

453.85

Wilson; Wilding; Journal of Chemical and Engineering Data; vol. 41; nb. 6; (1996); p. 1252 - 1254, View in Reaxys

Crystal Phase (1) Description (Crystal Phase)

Temperature (Crystal Phase) [°C]

References

-143.15

Thalladi, Venkat R.; Boese, Roland; Weiss, Hans-Christoph; Angewandte Chemie (International Edition in English); vol. 39; nb. 5; (2000); p. X918-922, View in Reaxys

Crystal structure determination

Crystal Property Description (3) Colour & Other Location Properties colourless

References

supporting informa- Li, Wei; Xie, Jian-Hua; Yuan, Ming-Lei; Zhou, Qi-Lin; Green Chemistry; vol. 16; nb. 9; tion (2014); p. 4081 - 4085, View in Reaxys; Ilangovan, Andivelu; Anandhan, Karnambaram; Kaushik, Mahabir Prasad; Tetrahedron Letters; vol. 56; nb. 9; (2015); p. 1081 - 1084, View in Reaxys; Santra, Surojit; Guin, Joyram; European Journal of Organic Chemistry; vol.

2015; nb. 33; (2015); p. 7253 - 7257, View in Reaxys

colourless

Tachibana, Yuya; Masuda, Takashi; Funabashi, Masahiro; Kunioka, Masao; Biomacromolecules; vol. 11; nb. 10; (2010); p. 2760 - 2765, View in Reaxys; Kuriyama, Wataru; Matsumoto, Takaji; Ogata, Osamu; Ino, Yasunori; Aoki, Kunimori; Tanaka, Shigeru; Ishida, Kenya; Kobayashi, Tohru; Sayo, Noboru; Saito, Takao; Organic Process Research and Development; vol.

16; nb. 1; (2012); p. 166 - 171, View in Reaxys

Nadeln

Hamonet; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 132; (1901); p. 632; Bulletin de la Societe Chimique de France; vol. <3>33; (1905); p. 523, View in Reaxys

Crystal System (1) Crystal System References monoclinic

Thalladi, Venkat R.; Boese, Roland; Weiss, Hans-Christoph; Angewandte Chemie (International Edition in English); vol. 39; nb. 5; (2000); p. X918-922, View in Reaxys

Dielectric Constant (57) Dielectric Constant Frequency (Dielectric Constant) [Hz]

Temperature (Dielectric Constant) [°C]

References

5.08

1.9986E+09

25

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

6.08

1.9986E+09

40

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

7.4

1.9986E+09

50

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

9.4

1.9986E+09

60

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

Copyright © 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

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2018-07-13 15:56:52

11.6

1.9986E+09

70

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

13.9

1.9986E+09

80

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

15.5

1.9986E+09

90

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

17

1.9986E+09

100

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

17.38

1.9986E+09

110

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

17.4

1.9986E+09

120

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

16.9

1.9986E+09

130

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

16.2

1.9986E+09

140

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

15.55

1.9986E+09

150

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

4.63

2.91058E+09

25

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

5.3

2.91058E+09

40

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

5.95

2.91058E+09

50

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

6.88

2.91058E+09

60

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

8.25

2.91058E+09

70

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

9.6

2.91058E+09

80

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

12.25

2.91058E+09

90

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

14.3

2.91058E+09

100

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

15.43

2.91058E+09

110

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

16.18

2.91058E+09

120

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

16.15

2.91058E+09

130

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

15.9

2.91058E+09

140

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

15.45

2.91058E+09

150

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

3.7

9.36844E+09

25

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

3.97

9.36844E+09

40

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

4.14

9.36844E+09

50

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

4.4

9.36844E+09

60

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

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2018-07-13 15:56:52

4.78

9.36844E+09

70

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

5.08

9.36844E+09

80

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

5.82

9.36844E+09

90

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

6.44

9.36844E+09

100

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

7.3

9.36844E+09

110

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

8.52

9.36844E+09

120

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

9.81

9.36844E+09

130

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

10.62

9.36844E+09

140

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

11.38

9.36844E+09

150

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

3.25

3.74738E+10

25

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

3.3

3.74738E+10

40

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

3.34

3.74738E+10

50

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

4.4

3.74738E+10

60

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

3.47

3.74738E+10

70

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

3.56

3.74738E+10

80

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

3.66

3.74738E+10

90

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

3.78

3.74738E+10

100

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

3.91

3.74738E+10

110

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

4.07

3.74738E+10

120

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

4.27

3.74738E+10

130

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

4.47

3.74738E+10

140

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

4.72

3.74738E+10

150

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

15 - 55

Safonova, L. P.; Korolev, V. V.; Russian Journal of Applied Chemistry; vol.

67; nb. 9.1; (1994); p. 1301 - 1304; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 67; nb. 9; (1994); p. 1482 - 1485, View in Reaxys

26.5 - 33.8

Crossley; Canadian Journal of Chemistry; vol. 56; (1978); p. 352,353, View in Reaxys 31.5

20

Copyright Š 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

Ketelaar; van Meurs; Recueil des Travaux Chimiques des Pays-Bas; vol.

76; (1957); p. 437,446,448, View in Reaxys

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2018-07-13 15:56:52

27.4

45

Ketelaar; van Meurs; Recueil des Travaux Chimiques des Pays-Bas; vol.

76; (1957); p. 437,446,448, View in Reaxys

23.4

70

Ketelaar; van Meurs; Recueil des Travaux Chimiques des Pays-Bas; vol.

76; (1957); p. 437,446,448, View in Reaxys

Dissociation Exponent (1) 1 of 1

Comment (Dissociation Exponent)

(pk')Saeure-Ionisierungskonst. in waessrig. Loesung, pK(a)

Woolley; George; Journal of Solution Chemistry; vol. 3; (1974); p. 119,125, View in Reaxys Dynamic Viscosity (30) Kind of measureDynamic Viscosity ment (Dynamic [P] Viscosity)

Temperature (Dynamic Viscosity) [°C]

Comment (Dynamic Viscosity)

References

ubbelohde suspension viscometer

0.293

44.99

Liquid

Yue, Xiaoqing; Zhao, Long; Ma, Liang; Shi, Huihu; Yang, Tingyu; Zhang, Jianbin; Journal of Molecular Liquids; vol. 263; (2018); p. 40 - 48, View in Reaxys

ubbelohde suspension viscometer

0.354

39.99

Liquid

Yue, Xiaoqing; Zhao, Long; Ma, Liang; Shi, Huihu; Yang, Tingyu; Zhang, Jianbin; Journal of Molecular Liquids; vol. 263; (2018); p. 40 - 48, View in Reaxys

ubbelohde suspension viscometer

0.443

34.99

Liquid

Yue, Xiaoqing; Zhao, Long; Ma, Liang; Shi, Huihu; Yang, Tingyu; Zhang, Jianbin; Journal of Molecular Liquids; vol. 263; (2018); p. 40 - 48, View in Reaxys

ubbelohde suspension viscometer

0.572

29.99

Liquid

Yue, Xiaoqing; Zhao, Long; Ma, Liang; Shi, Huihu; Yang, Tingyu; Zhang, Jianbin; Journal of Molecular Liquids; vol. 263; (2018); p. 40 - 48, View in Reaxys

ubbelohde suspension viscometer

0.721

24.99

Liquid

Yue, Xiaoqing; Zhao, Long; Ma, Liang; Shi, Huihu; Yang, Tingyu; Zhang, Jianbin; Journal of Molecular Liquids; vol. 263; (2018); p. 40 - 48, View in Reaxys

ubbelohde suspension viscometer

0.968

19.99

Liquid

Yue, Xiaoqing; Zhao, Long; Ma, Liang; Shi, Huihu; Yang, Tingyu; Zhang, Jianbin; Journal of Molecular Liquids; vol. 263; (2018); p. 40 - 48, View in Reaxys

0.3003

44.99

Srinivasu; Narendra; Dey, Ranjan; Rao, G Srinivasa; Rao, B Subba; Indian Journal of Chemistry Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 56A; nb. 11; (2017); p. 1154 1160, View in Reaxys

0.3753

39.99

Srinivasu; Narendra; Dey, Ranjan; Rao, G Srinivasa; Rao, B Subba; Indian Journal of Chemistry Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 56A; nb. 11; (2017); p. 1154 1160, View in Reaxys

0.4566

34.99

Srinivasu; Narendra; Dey, Ranjan; Rao, G Srinivasa; Rao, B Subba; Indian Journal of Chemistry Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 56A; nb. 11; (2017); p. 1154 1160, View in Reaxys

0.5547

29.99

Srinivasu; Narendra; Dey, Ranjan; Rao, G Srinivasa; Rao, B Subba; Indian Journal of Chemistry Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 56A; nb. 11; (2017); p. 1154 1160, View in Reaxys

0.305

44.99

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Liquid

44/127

Sha, Feng; Zhao, Tianxiang; Guo, Bo; Ju, Xinxin; Li, Lihua; Zhang, Jianbin; Journal of Molecular Liquids; vol. 208; (2015); p. 373 - 379; Art.No: 4831, View in Reaxys

2018-07-13 15:56:52

0.328

39.99

Liquid

Sha, Feng; Zhao, Tianxiang; Guo, Bo; Ju, Xinxin; Li, Lihua; Zhang, Jianbin; Journal of Molecular Liquids; vol. 208; (2015); p. 373 - 379; Art.No: 4831, View in Reaxys

0.416

34.99

Liquid

Sha, Feng; Zhao, Tianxiang; Guo, Bo; Ju, Xinxin; Li, Lihua; Zhang, Jianbin; Journal of Molecular Liquids; vol. 208; (2015); p. 373 - 379; Art.No: 4831, View in Reaxys

0.543

29.99

Liquid

Sha, Feng; Zhao, Tianxiang; Guo, Bo; Ju, Xinxin; Li, Lihua; Zhang, Jianbin; Journal of Molecular Liquids; vol. 208; (2015); p. 373 - 379; Art.No: 4831, View in Reaxys

0.728

24.99

Liquid

Sha, Feng; Zhao, Tianxiang; Guo, Bo; Ju, Xinxin; Li, Lihua; Zhang, Jianbin; Journal of Molecular Liquids; vol. 208; (2015); p. 373 - 379; Art.No: 4831, View in Reaxys

0.965

19.99

Liquid

Sha, Feng; Zhao, Tianxiang; Guo, Bo; Ju, Xinxin; Li, Lihua; Zhang, Jianbin; Journal of Molecular Liquids; vol. 208; (2015); p. 373 - 379; Art.No: 4831, View in Reaxys

0.47378

34.99

Mehta; Ram, Ganga; Mani, Chander; Bhasin; Journal of Chemical Thermodynamics; vol. 38; nb. 7; (2006); p. 836 - 848, View in Reaxys

0.47378

35

Mehta; Ram, Ganga; Bhasin; Journal of Chemical Thermodynamics; vol. 37; nb. 8; (2005); p. 791 - 801, View in Reaxys

0.06213 - 0.90327

20 - 90

Yang, Changsheng; Ma, Peisheng; Zhou, Qing; Journal of Chemical and Engineering Data; vol. 49; nb. 3; (2004); p. 582 - 587, View in Reaxys

0.13487 - 0.72618

25 - 65

George, John; Sastry, Nandhibatla V.; Journal of Chemical and Engineering Data; vol. 48; nb. 6; (2003); p. 1520 - 1539, View in Reaxys

0.0726 - 0.8426

20.25 - 86.15

Lech, Tatiana; Czechowski, Grzegorz; Jadzyn, Jan; Journal of Chemical and Engineering Data; vol.

46; nb. 3; (2001); p. 725 - 727, View in Reaxys

25

Dynamic viscosity Hawrylak, Brent; Andrecyk, Stacey; Gabriel, Car(range begins): 71.1 rie-Ellen; Gracie, Kim; Palepu; Journal of Solution <unit not given> Chemistry; vol. 27; nb. 9; (1998); p. 827 - 841, View in Reaxys

0.199 - 0.756

25 - 55

Safonova, L. P.; Korolev, V. V.; Russian Journal of Applied Chemistry; vol. 67; nb. 9.1; (1994); p. 1301 1304; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 67; nb. 9; (1994); p. 1482 1485, View in Reaxys

0.7166

25

Bald, Adam; Szejgin, Adam; Woznicka, Jadwiga; Jozwiak, Malgorzata; Journal of Chemical Research, Miniprint; nb. 4; (1992); p. 923 - 937, View in Reaxys

0.01615 - 0.7113

25.4 - 149.8

Sun; DiGuillo; Teja; Journal of Chemical and Engineering Data; vol. 37; nb. 2; (1992); p. 246 - 248, View in Reaxys

9.97

20

De Lourdes Costa; Baszkin; Journal of Pharmacy and Pharmacology; vol. 37; nb. 7; (1985); p. 445 460, View in Reaxys

0.761

24.9

Idriss-Ali, K. M.; Freeman, Gordon R.; Canadian Journal of Chemistry; vol. 62; (1984); p. 2217 - 2222, View in Reaxys

0.756

25

Safonova, L. P.; Egorova, I. V.; Krestov, G. A.; Russian Journal of Physical Chemistry; vol. 57; nb. 6;

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(1983); p. 941 - 942; Zhurnal Fizicheskoi Khimii; vol.

57; (1983); p. 1552 - 1554, View in Reaxys Thomas et al.; Journal of Chemical and Engineering Data; vol. 24; (1979); p. 161,162, View in Reaxys 0.835

20

Litovitz et al.; Journal of Chemical Physics; vol. 22; (1954); p. 1281, View in Reaxys

Electrical Data (9) 1 of 9

Description (Electrical Da- Electrical conductivity ta) Temperature of Electric Conductivity [°C]

298.15

Comment (Electrical Data) Liquid Ghanadzadeh Gilani; Ansari; Journal of Molecular Liquids; vol. 196; (2014); p. 270 - 279, View in Reaxys 2 of 9

Description (Electrical Da- Electrical conductivity ta) Temperature of Electric Conductivity [°C]

308.15

Comment (Electrical Data) Liquid Ghanadzadeh Gilani; Ansari; Journal of Molecular Liquids; vol. 196; (2014); p. 270 - 279, View in Reaxys 3 of 9

Description (Electrical Da- Electrical conductivity ta) Temperature of Electric Conductivity [°C]

318.15

Comment (Electrical Data) Liquid Ghanadzadeh Gilani; Ansari; Journal of Molecular Liquids; vol. 196; (2014); p. 270 - 279, View in Reaxys 4 of 9

Description (Electrical Da- Dielectric loss ta) Comment (Electrical Data) temperature dependence. Object(s) of Study: diagram Zhuravlev; Lifanova; Usacheva; Vydrina; Russian Journal of Physical Chemistry A; vol. 82; nb. 3; (2008); p. 490 - 491, View in Reaxys

5 of 9

Description (Electrical Da- Dielectric relaxation time ta) Crossley; Canadian Journal of Chemistry; vol. 56; (1978); p. 352,353, View in Reaxys; Kaatze, U.; Loennecke-Gabel, V.; Pottel, R.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 175; nb. 2; (1992); p. 165 - 186, View in Reaxys; Wang; Pottel; Kaatze; Journal of Physical Chemistry B; vol. 101; nb. 6; (1997); p. 922 - 929, View in Reaxys; Zhuravlev; Lifanova; Usacheva; Vydrina; Russian Journal of Physical Chemistry A; vol. 82; nb. 3; (2008); p. 490 - 491, View in Reaxys

6 of 9

Description (Electrical Da- Dielectric loss ta) Comment (Electrical Data) temperature dependence. Object(s) of Study: wavelength dependence Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

7 of 9

Description (Electrical Da- Dielectric relaxation time ta) Comment (Electrical Data) ambient temperature Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys

8 of 9

Description (Electrical Da- Dielectric loss ta) Comment (Electrical Data) ambient temperature. Object(s) of Study: frequency dependence Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys

9 of 9

Description (Electrical Da- Electrical properties ta)

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Pethig; Zeitschrift fuer Naturforschung, Teil A: Astrophysik, Physik und Physikalische Chemie; vol. 33; (1978); p. 389, View in Reaxys; Hinopoulos; Sakellaridis; Zeitschrift fuer Naturforschung, Teil A: Astrophysik, Physik und Physikalische Chemie; vol. 32; (1977); p. 515, View in Reaxys Electrical Data (MCS) (9) 1 of 9

Description (Electrical Da- Dielectric constant ta (MCS)) Temperature (Electrical Data (MCS)) [°C]

25 - 55

Partner (Electrical Data (MCS))

H2O

George, John; Sastry, Nandhibatla V.; Journal of Chemical and Engineering Data; vol. 48; nb. 6; (2003); p. 1520 - 1539, View in Reaxys 2 of 9

Description (Electrical Da- Dielectric constant ta (MCS)) Temperature (Electrical Data (MCS)) [°C]

20

Comment (Electrical Data (MCS))

concentration dependence. Object(s) of Study: frequency dependence

Partner (Electrical Data (MCS))

1 ,5-pentanediol

Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys 3 of 9

Description (Electrical Da- Dielectric loss ta (MCS)) Temperature (Electrical Data (MCS)) [°C]

20

Comment (Electrical Data (MCS))

concentration dependence. Object(s) of Study: frequency dependence

Partner (Electrical Data (MCS))

1 ,5-pentanediol

Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys 4 of 9

Description (Electrical Da- Dielectric constant ta (MCS)) Temperature (Electrical Data (MCS)) [°C]

20

Comment (Electrical Data (MCS))

concentration dependence. Object(s) of Study: frequency dependence

Partner (Electrical Data (MCS))

trimethyleneglycol; ethylene glycol

Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys 5 of 9

Description (Electrical Da- Dielectric loss ta (MCS)) Temperature (Electrical Data (MCS)) [°C]

20

Comment (Electrical Data (MCS))

concentration dependence. Object(s) of Study: frequency dependence

Partner (Electrical Data (MCS))

trimethyleneglycol; ethylene glycol

Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys 6 of 9

Description (Electrical Da- Dielectric constant ta (MCS)) Temperature (Electrical Data (MCS)) [°C]

20

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Comment (Electrical Data (MCS))

concentration dependence. Object(s) of Study: frequency dependence

Partner (Electrical Data (MCS))

ethylene glycol

Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys 7 of 9

Description (Electrical Da- Dielectric constant ta (MCS)) Temperature (Electrical Data (MCS)) [°C]

20

Comment (Electrical Data (MCS))

concentration dependence. Object(s) of Study: frequency dependence

Partner (Electrical Data (MCS))

trimethyleneglycol; 1 ,5-pentanediol

Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys 8 of 9

Description (Electrical Da- Dielectric loss ta (MCS)) Temperature (Electrical Data (MCS)) [°C]

20

Comment (Electrical Data (MCS))

concentration dependence. Object(s) of Study: frequency dependence

Partner (Electrical Data (MCS))

trimethyleneglycol; 1 ,5-pentanediol

Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys 9 of 9

Description (Electrical Da- Dielectric loss ta (MCS)) Temperature (Electrical Data (MCS)) [°C]

20

Comment (Electrical Data (MCS))

concentration dependence. Object(s) of Study: frequency dependence

Partner (Electrical Data (MCS))

trimethyleneglycol

Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys Electrical Moment (13) 1 of 13

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.65

Method (Electrical Moment)

Dielectric constant, permittivity

Ghanadzadeh Gilani; Ansari; Journal of Molecular Liquids; vol. 196; (2014); p. 270 - 279, View in Reaxys 2 of 13

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.69

Method (Electrical Moment)

Dielectric constant, permittivity

Ghanadzadeh Gilani; Ansari; Journal of Molecular Liquids; vol. 196; (2014); p. 270 - 279, View in Reaxys 3 of 13

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.72

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Method (Electrical Moment)

Dielectric constant, permittivity

Ghanadzadeh Gilani; Ansari; Journal of Molecular Liquids; vol. 196; (2014); p. 270 - 279, View in Reaxys 4 of 13

Description (Electrical Moment)

Dipole moment

Bhaumik et al.; Indian Journal of Chemistry; vol. 10; (1972); p. 545, View in Reaxys; Crossley; Canadian Journal of Chemistry; vol. 56; (1978); p. 352,353, View in Reaxys 5 of 13

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

μ

Toshiyasu et al.; Bulletin of the Chemical Society of Japan; vol. 43; (1970); p. 2676, View in Reaxys 6 of 13

Description (Electrical Moment)

Dipole moment

Temperature (Electrical Moment) [°C]

20

Method (Electrical Moment)

Dielectric constant (α)

Solvent (Electrical Moment)

neat (no solvent)

Ketelaar; van Meurs; Recueil des Travaux Chimiques des Pays-Bas; vol. 76; (1957); p. 437,446,448, View in Reaxys 7 of 13

Description (Electrical Moment)

Dipole moment

Temperature (Electrical Moment) [°C]

45

Method (Electrical Moment)

Dielectric constant (α)

Solvent (Electrical Moment)

neat (no solvent)

Ketelaar; van Meurs; Recueil des Travaux Chimiques des Pays-Bas; vol. 76; (1957); p. 437,446,448, View in Reaxys 8 of 13

Description (Electrical Moment)

Dipole moment

Temperature (Electrical Moment) [°C]

70

Method (Electrical Moment)

Dielectric constant (α)

Solvent (Electrical Moment)

neat (no solvent)

Ketelaar; van Meurs; Recueil des Travaux Chimiques des Pays-Bas; vol. 76; (1957); p. 437,446,448, View in Reaxys 9 of 13

Description (Electrical Moment)

Dipole moment

Temperature (Electrical Moment) [°C]

20

Method (Electrical Moment)

Dielectric constant (α)

Solvent (Electrical Moment)

dioxane

Ketelaar; van Meurs; Recueil des Travaux Chimiques des Pays-Bas; vol. 76; (1957); p. 437,446,448, View in Reaxys 10 of 13

Description (Electrical Moment)

Dipole moment

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Temperature (Electrical Moment) [°C]

45

Method (Electrical Moment)

Dielectric constant (α)

Solvent (Electrical Moment)

dioxane

Ketelaar; van Meurs; Recueil des Travaux Chimiques des Pays-Bas; vol. 76; (1957); p. 437,446,448, View in Reaxys 11 of 13

Description (Electrical Moment)

Dipole moment

Temperature (Electrical Moment) [°C]

70

Method (Electrical Moment)

Dielectric constant (α)

Solvent (Electrical Moment)

dioxane

Ketelaar; van Meurs; Recueil des Travaux Chimiques des Pays-Bas; vol. 76; (1957); p. 437,446,448, View in Reaxys 12 of 13

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.5

Solvent (Electrical Moment)

dioxane

Trinh; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 227; (1948); p. 394, View in Reaxys 13 of 13

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.4

Solvent (Electrical Moment)

dioxane

Wang; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 45; (1940); p. 325, View in Reaxys Electrochemical Behaviour (2) Description (Elec- Comment (Electrotrochemical Behav- chemical Behaviour) iour) Proton affinity

Acidity

References

Guenat, Christian; Houriet, Raymond; Stahl, Daniel; Winkler, Johann; Helvetica Chimica Acta; vol. 68; (1985); p. 1647 - 1657, View in Reaxys; Chen, Qing-Feng; Stone, John A.; Journal of Physical Chemistry; vol. 99; nb. 5; (1995); p. 1442 - 1453, View in Reaxys in Propan-2-ol.

Hine; Hine; Journal of the American Chemical Society; vol. 74; (1952); p. 5266,5269, View in Reaxys

Energy Data (MCS) (27) 1 of 27

Description (Energy Data (MCS))

Excess enthalpy

Temperature (Energy Data (MCS)) [°C]

24.99 - 69.99

Partner (Energy Data (MCS))

H2O

Nagamachi; Francesconi; Journal of Chemical Thermodynamics; vol. 38; nb. 4; (2006); p. 461 - 466, View in Reaxys 2 of 27

Description (Energy Data (MCS))

Molar excess Gibbs free energy

Temperature (Energy Data (MCS)) [°C]

35

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Comment (Energy Data (MCS))

diagram

Partner (Energy Data (MCS))

2-pyrrolidone

Mehta; Ram, Ganga; Bhasin; Journal of Chemical Thermodynamics; vol. 37; nb. 8; (2005); p. 791 - 801, View in Reaxys 3 of 27

Description (Energy Data (MCS))

Heat capacity Cp

Temperature (Energy Data (MCS)) [°C]

20 - 80

Partner (Energy Data (MCS))

H2O

Yang, Changsheng; Ma, Peisheng; Zhou, Qing; Journal of Chemical and Engineering Data; vol. 49; nb. 3; (2004); p. 582 587, View in Reaxys 4 of 27

Description (Energy Data (MCS))

Enthalpy of dilution

Temperature (Energy Data (MCS)) [°C]

25

Partner (Energy Data (MCS))

H2O

Borghesani, G.; Pedriali, R.; Pulidori, F.; Scaroni, I.; Journal of Solution Chemistry; vol. 15; nb. 5; (1986); p. 397 - 408, View in Reaxys; Castronuovo, Giuseppina; D'Isanto, Giuliano; Elia, Vittorio; Velleca, Filomena; Journal of the Chemical Society - Faraday Transactions; vol. 92; nb. 17; (1996); p. 3087 - 3091, View in Reaxys 5 of 27

Description (Energy Data (MCS))

Heat capacity of mixtures

Temperature (Energy Data (MCS)) [°C]

29.8 - 250.2

Pressure (Energy Data (MCS)) [Torr]

210017

Partner (Energy Data (MCS))

H2O

Inglese, Americo; Wood, Robert H.; Journal of Chemical Thermodynamics; vol. 28; nb. 9; (1996); p. 1059 - 1070, View in Reaxys 6 of 27

Description (Energy Data (MCS))

Enthalpy of dilution

Temperature (Energy Data (MCS)) [°C]

25

Partner (Energy Data (MCS))

urea; H2O

Castronuovo, Giuseppina; D'Isanto, Giuliano; Elia, Vittorio; Velleca, Filomena; Journal of the Chemical Society - Faraday Transactions; vol. 92; nb. 17; (1996); p. 3087 - 3091, View in Reaxys 7 of 27

Description (Energy Data (MCS))

Enthalpy of dilution

Solvent (Energy Data (MCS))

H2O

Temperature (Energy Data (MCS)) [°C]

24.9

Partner (Energy Data (MCS))

NaOH

Castronuovo, Giuseppina; Elia, Vittorio; Velleca, Filomena; Journal of the Chemical Society - Faraday Transactions; vol. 92; nb. 17; (1996); p. 3093 - 3096, View in Reaxys 8 of 27

Description (Energy Data (MCS))

Enthalpy of solution

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Temperature (Energy Data (MCS)) [°C]

25

Partner (Energy Data (MCS))

tert-butyl alcohol; H2O

Batov; Antonova; Svishchev; Korolev; Russian Journal of General Chemistry; vol. 66; nb. 11; (1996); p. 1727 - 1733, View in Reaxys 9 of 27

Description (Energy Data (MCS))

Enthalpy of solution

Temperature (Energy Data (MCS)) [°C]

25

Comment (Energy Data (MCS))

concentration dependence

Partner (Energy Data (MCS))

H2O

Batov; Antonova; Egorova; Korolev; Russian Journal of General Chemistry; vol. 66; nb. 2; (1996); p. 204 - 211, View in Reaxys 10 of 27

Description (Energy Data (MCS))

Enthalpy of solution

Temperature (Energy Data (MCS)) [°C]

25

Comment (Energy Data (MCS))

concentration dependence

Partner (Energy Data (MCS))

methanol

Batov; Antonova; Egorova; Korolev; Russian Journal of General Chemistry; vol. 66; nb. 2; (1996); p. 204 - 211, View in Reaxys 11 of 27

Description (Energy Data (MCS))

Enthalpy of solution

Temperature (Energy Data (MCS)) [°C]

25

Comment (Energy Data (MCS))

solvent dependence. Object(s) of Study: concentration dependence

Partner (Energy Data (MCS))

methanol

Batov; Antonova; Egorova; Korolev; Russian Journal of General Chemistry; vol. 66; nb. 2; (1996); p. 204 - 211, View in Reaxys 12 of 27

Description (Energy Data (MCS))

Excess thermochemical parameter

Temperature (Energy Data (MCS)) [°C]

25

Partner (Energy Data (MCS))

propylene glycol; water

Castronuovo, Giuseppina; Volpe, Claudio Della; Elia, Vittorio; Scire, Giuseppina; Journal of the Chemical Society, Faraday Transactions; vol. 88; nb. 18; (1992); p. 2667 - 2672, View in Reaxys 13 of 27

Description (Energy Data (MCS))

Excess thermochemical parameter

Temperature (Energy Data (MCS)) [°C]

25

Partner (Energy Data (MCS))

trimethyleneglycol; water

Castronuovo, Giuseppina; Volpe, Claudio Della; Elia, Vittorio; Scire, Giuseppina; Journal of the Chemical Society, Faraday Transactions; vol. 88; nb. 18; (1992); p. 2667 - 2672, View in Reaxys

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14 of 27

Description (Energy Data (MCS))

Excess thermochemical parameter

Temperature (Energy Data (MCS)) [°C]

25

Partner (Energy Data (MCS))

1,2-pentanediol; water

Castronuovo, Giuseppina; Volpe, Claudio Della; Elia, Vittorio; Scire, Giuseppina; Journal of the Chemical Society, Faraday Transactions; vol. 88; nb. 18; (1992); p. 2667 - 2672, View in Reaxys 15 of 27

Description (Energy Data (MCS))

Excess thermochemical parameter

Temperature (Energy Data (MCS)) [°C]

25

Partner (Energy Data (MCS))

1 ,5-pentanediol; water

Castronuovo, Giuseppina; Volpe, Claudio Della; Elia, Vittorio; Scire, Giuseppina; Journal of the Chemical Society, Faraday Transactions; vol. 88; nb. 18; (1992); p. 2667 - 2672, View in Reaxys 16 of 27

Description (Energy Data (MCS))

Excess thermochemical parameter

Temperature (Energy Data (MCS)) [°C]

25

Partner (Energy Data (MCS))

1,2-dihydroxybutane; water

Castronuovo, Giuseppina; Volpe, Claudio Della; Elia, Vittorio; Scire, Giuseppina; Journal of the Chemical Society, Faraday Transactions; vol. 88; nb. 18; (1992); p. 2667 - 2672, View in Reaxys 17 of 27

Description (Energy Data (MCS))

Entropy of mixtures

Temperature (Energy Data (MCS)) [°C]

15 - 35

Partner (Energy Data (MCS))

alpha cyclodextrin

Bastos, M.; Briggner, L. -E.; Shehatta, I.; Wadsoe, I.; Journal of Chemical Thermodynamics; vol. 22; nb. 12; (1990); p. 1181 - 1190, View in Reaxys 18 of 27

Description (Energy Data (MCS))

Heat capacity of mixtures

Temperature (Energy Data (MCS)) [°C]

25

Partner (Energy Data (MCS))

alpha cyclodextrin

Bastos, M.; Briggner, L. -E.; Shehatta, I.; Wadsoe, I.; Journal of Chemical Thermodynamics; vol. 22; nb. 12; (1990); p. 1181 - 1190, View in Reaxys 19 of 27

Description (Energy Data (MCS))

Enthalpy of dilution

Solvent (Energy Data (MCS))

H2O

Temperature (Energy Data (MCS)) [°C]

25

Partner (Energy Data (MCS))

1,4-Pentanediol

Andini, Salvatore; Castronuovo, Giuseppina; Elia, Vittorio; Fasano, Lorella; Journal of the Chemical Society, Faraday Transactions; vol. 86; nb. 21; (1990); p. 3567 - 3571, View in Reaxys 20 of 27

Description (Energy Data (MCS))

Enthalpy of dilution

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Temperature (Energy Data (MCS)) [°C]

25

Partner (Energy Data (MCS))

1,2-dihydroxybutane; H2O

Borghesani, G.; Pedriali, R.; Pulidori, F.; Scaroni, I.; Journal of Solution Chemistry; vol. 15; nb. 5; (1986); p. 397 - 408, View in Reaxys 21 of 27

Description (Energy Data (MCS))

Enthalpy of solution

Temperature (Energy Data (MCS)) [°C]

25

Partner (Energy Data (MCS))

H2

Brunner, Erwin; Journal of Chemical Thermodynamics; vol. 12; nb. 10; (1980); p. 993 - 1002, View in Reaxys 22 of 27

Description (Energy Data (MCS))

Enthalpy of solution

Nakayama; Bulletin of the Chemical Society of Japan; vol. 43; (1970); p. 1683, View in Reaxys; Corkill et al.; Transactions of the Faraday Society; vol. 65; (1969); p. 1742,1744, View in Reaxys; Nichols et al.; Journal of Chemical Thermodynamics; vol.

8; (1976); p. 993,995, 996, View in Reaxys 23 of 27

Description (Energy Data (MCS))

Heat capacity of mixtures

Nichols et al.; Journal of Chemical Thermodynamics; vol. 8; (1976); p. 993,995, 996, View in Reaxys 24 of 27

Description (Energy Data (MCS))

Enthalpy of solution

Temperature (Energy Data (MCS)) [°C]

27 - 68

Comment (Energy Data (MCS))

und Loesungsenthropie.

Partner (Energy Data (MCS))

n-heptane

Staveley; Milward; Journal of the Chemical Society; (1957); p. 4369,4372, View in Reaxys 25 of 27

Description (Energy Data (MCS))

Enthalpy of solution

Temperature (Energy Data (MCS)) [°C]

27 - 68

Comment (Energy Data (MCS))

und Loesungsenthropie.

Partner (Energy Data (MCS))

cyclohexane

Staveley; Milward; Journal of the Chemical Society; (1957); p. 4369,4372, View in Reaxys 26 of 27

Description (Energy Data (MCS))

Enthalpy of solution

Temperature (Energy Data (MCS)) [°C]

27 - 68

Comment (Energy Data (MCS))

und Loesungsenthropie.

Partner (Energy Data (MCS))

benzene

Staveley; Milward; Journal of the Chemical Society; (1957); p. 4369,4372, View in Reaxys 27 of 27

Description (Energy Data (MCS))

Enthalpy of mixing

Temperature (Energy Data (MCS)) [°C]

25

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Partner (Energy Data (MCS))

water

Amaya; Fujishiro; Bulletin of the Chemical Society of Japan; vol. 29; (1956); p. 830, View in Reaxys Enthalpy of Combustion (2) Enthalpy of ComTemperature (Enbustion [Jmol-1] thalpy of Combustion) [°C] -2.4955E+06

25

References

Knauth, P.; Sabbah, R.; Journal of Chemical Thermodynamics; vol. 21; nb. 2; (1989); p. 203 210, View in Reaxys Gardner; Hussain; Journal of Chemical Thermodynamics; vol. 4; (1972); p. 819,820,824-826, View in Reaxys

Enthalpy of Formation (3) Enthalpy of Forma- Temperature (Ention [Jmol-1] thalpy of Formation) [°C]

References

-505300

25

Knauth, P.; Sabbah, R.; Journal of Chemical Thermodynamics; vol. 21; nb. 2; (1989); p. 203 210, View in Reaxys

-429984

0

Terlouw, Johan K.; Heerma, Wigger; Burgers, Peter C.; Canadian Journal of Chemistry; vol.

62; (1984); p. 289 - 292, View in Reaxys Gardner; Hussain; Journal of Chemical Thermodynamics; vol. 4; (1972); p. 819,820,824-826, View in Reaxys

Enthalpy of Fusion (3) Enthalpy of Fusion Comment (Enthal[Jmol-1] py of Fusion) 17483.7

21 °C

References Solonina; Rodnikova; Kiselev; Khoroshilov; Russian Journal of Physical Chemistry A; vol. 89; nb. 5; (2015); p. 910 - 913; Zh. Fiz. Khim.; vol. 89; nb. 5; (2015); p. 882 - 885,4, View in Reaxys

Enthalpy of melting Maria, Teresa M. R.; Lopes Jesus; Eusebio, M. Ermelinda S.; Journal of Thermal Analysis and given Calorimetry; vol. 100; nb. 2; (2010); p. 385 - 390, View in Reaxys 12000

Knauth, P.; Sabbah, R.; Canadian Journal of Chemistry; vol. 68; nb. 5; (1990); p. 731 - 734, View in Reaxys

Enthalpy of Vaporization (5) Enthalpy of Vapori- Temperature (Enzation [Jmol-1] thalpy of Vaporization) [°C]

References

77100

24.99

Umnahanant, Pataporn; Kweskin, Shasha; Nichols, Gary; Dunn, Matthew J.; Smart-Ebinne, Hareta; Chickos, James S.; Journal of Chemical and Engineering Data; vol. 51; nb. 6; (2006); p.

2246 - 2254, View in Reaxys

78950

25

Vasiltsova, Tatiana V.; Verevkin, Sergey P.; Bich, Eckard; Heintz, Andreas; Bogel-Lukasik, Rafal; Domanska, Urszula; Journal of Chemical and Engineering Data; vol. 50; nb. 1; (2005); p.

142 - 148, View in Reaxys

78300

25

Eusebio, M. Ermelinda; Lopes Jesus; Cruz, Mafalda S.C.; Leitao, M. Luisa P.; Redinha, J. Simoes; Journal of Chemical Thermodynamics; vol. 35; nb. 1; (2003); p. 123 - 129, View in Reaxys

79300

25

Knauth, P.; Sabbah, R.; Bulletin de la Societe Chimique de France; nb. 5; (1988); p. 834 - 836, View in Reaxys Gardner; Hussain; Journal of Chemical Thermodynamics; vol. 4; (1972); p. 819,820,824-826, View in Reaxys

Further Information (34) Description (FurReferences ther Information) Further information Macdonald et al.; Journal of Solution Chemistry; vol. 7; (1978); p. 63, View in Reaxys Further information Brandt et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 48; (1978); p. 682,623, View in Reaxys Further information Blanc et al.; Organic Mass Spectrometry; vol. 13; (1978); p. 135,136, 138, 139, 140, View in Reaxys Further information Doerfler; Tenside; vol. 15; (1978); p. 232,233,234, View in Reaxys Further information Ksiazczak; Roczniki Chemii; vol. 51; (1977); p. 601,603, View in Reaxys

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Further information McLafferty; Van de Sande; Journal of the American Chemical Society; vol. 97; (1975); p. 4613, View in Reaxys Further information Nakajima et al.; Bulletin of the Chemical Society of Japan; vol. 48; (1975); p. 783,784, View in Reaxys Further information Clerc et al.; Chemical Physics Letters; vol. 26; (1974); p. 167,171, View in Reaxys Further information Ray et al.; Biochemistry; vol. 12; (1973); p. 3724,3730, View in Reaxys Further information Kennedy et al.; Carbohydrate Research; vol. 28; (1973); p. 1,2-12, View in Reaxys Further information Bhaumik et al.; Indian Journal of Chemistry; vol. 10; (1972); p. 545, View in Reaxys Further information Arnett et al.; Journal of the American Chemical Society; vol. 94; (1972); p. 4776, View in Reaxys Further information Mallan et al.; Journal of Chemical and Engineering Data; vol. 17; (1972); p. 412,414, View in Reaxys Further information Morantz; Waite; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 27; (1971); p.

1133,1134,1135, View in Reaxys Further information Fishman; Chen; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 25; (1969); p. 1231, View in Reaxys Further information Makay-Boedi; Vancso-Szmercsanyi; European Polymer Journal; vol. 5; (1969); p. 145,146, View in Reaxys Further information Harada; Hirabayashi; Agricultural and Biological Chemistry; vol. 32; (1968); p. 1175, View in Reaxys Further information Gruetzmacher; Winkler; Organic Mass Spectrometry; vol. 1; (1968); p. 295,301,313, View in Reaxys Further information Vaver,V.A. et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); (1967); p. 1151 - 1155; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 6; (1967); p. 1187 - 1192, View in Reaxys Further information Nakanishi et al.; Journal of Physical Chemistry; vol. 71; (1967); p. 814, View in Reaxys Further information Wawer et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); (1967); p. 1588; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1967); p. 1645, View in Reaxys Further information Wul'fson et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); (1967); p. 2304; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1967); p. 2415, View in Reaxys Further information Sacharkin; Sawina; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); (1967); p. 72,76; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1967); p. 78, View in Reaxys Further information Shannon; McLafferty; Journal of the American Chemical Society; vol. 88; (1966); p. 5021, View in Reaxys Further information Gupta; Mital; Indian Journal of Chemistry; vol. 4; (1966); p. 370, View in Reaxys Further information Thomas; Meatyard; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1966); p. 92, View in Reaxys Further information Gerrard; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 61; (1964); p. 73,75, View in Reaxys Further information Zinzewitsch et al.; Russian Journal of Physical Chemistry; vol. 38; (1964); p. 1248; Zhurnal Fizicheskoi Khimii; vol.

38; (1964); p. 2305, View in Reaxys Further information Mehrotra; Chandra; Journal of the Chemical Society; (1963); p. 2804,2806, View in Reaxys Further information Welti; Whittaker; Chemistry and Industry (London, United Kingdom); (1962); p. 986, View in Reaxys Further information Musher,J.I.; Corey,E.J.; Tetrahedron; vol. 18; (1962); p. 791 - 809, View in Reaxys Further information Sagal; Journal of Chemical Physics; vol. 36; (1962); p. 2437,2438, View in Reaxys Further information Deluzarche; Brini; Bulletin de la Societe Chimique de France; (1961); p. 537,538, View in Reaxys Further information Simon; Heintz; Naturwissenschaften; vol. 47; (1960); p. 468, View in Reaxys Heat Capacity Cp (3) Heat Capacity Cp Temperature (Heat [Jmol-1K-1] Capacity Cp) [°C]

References

198.2 - 236.9

20 - 80

Yang, Changsheng; Ma, Peisheng; Zhou, Qing; Journal of Chemical and Engineering Data; vol.

49; nb. 3; (2004); p. 582 - 587, View in Reaxys

202.1

25

Hawrylak, Brent; Gracie, Kim; Palepu; Journal of Solution Chemistry; vol. 27; nb. 1; (1998); p.

17 - 31, View in Reaxys Petit; Minassian; Journal of Chemical Thermodynamics; vol. 6; (1974); p. 1139,1146, View in Reaxys; Nichols et al.; Journal of Chemical Thermodynamics; vol. 8; (1976); p. 993,995, 996, View in Reaxys

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Heat Capacity Cv (1) References Petit; Minassian; Journal of Chemical Thermodynamics; vol. 6; (1974); p. 1139,1146, View in Reaxys Henry Constant (MCS) (1) 1 of 1

Henry Constant [Pa·m3/ mol]

222222

Temperature (Henry Constant (MCS)) [°C]

25

Solvent (Henry Constant (MCS))

H2O

Altschuh, Joachim; Brueggemann, Rainer; Santl, Helmut; Eichinger, Gerhard; Piringer, Otto G.; Chemosphere; vol. 39; nb. 11; (1999); p. 1871 - 1887, View in Reaxys Kinematic Viscosity (1) Kinematic Viscosi- Temperature (Kine- References ty [St] matic Viscosity) [°C] 0.08 - 0.709

24.9 - 84.9

Idriss-Ali, K. M.; Freeman, Gordon R.; Canadian Journal of Chemistry; vol. 62; (1984); p. 2217 - 2222, View in Reaxys

Liquid Phase (3) Description (Liquid References Phase) Structure of the liq- Zhuravlev; Grineva; Lifanova; Usacheva; Russian Journal of Physical Chemistry A; vol. 71; nb. 12; (1997); p. 2066 uid 2069, View in Reaxys Association in the liquid state

Kleeberg, H.; Luck, W. A. P.; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 270; nb. 3; (1989); p. 613 - 625, View in Reaxys

Self-association in solution

Durand; Coudert; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 286; (1978); p. 59, View in Reaxys

Liquid/Liquid Systems (MCS) (12) 1 of 12

Description (Liquid/Liquid Liquid/liquid phase diagram Systems (MCS)) Temperature (Liquid/ Liquid Systems (MCS)) [°C]

25.04

Partner (Liquid/Liquid Systems (MCS))

cyclohexanol; water

Ghanadzadeh, Ali; Ghanadzadeh, Hossein; Bahrpaima, Khatereh; Journal of Chemical and Engineering Data; vol. 54; nb.

3; (2009); p. 1009 - 1014, View in Reaxys 2 of 12

Description (Liquid/Liquid Liquid/liquid phase diagram Systems (MCS)) Temperature (Liquid/ Liquid Systems (MCS)) [°C]

25.04

Partner (Liquid/Liquid Systems (MCS))

2-Ethylhexyl alcohol; water

Ghanadzadeh, Ali; Ghanadzadeh, Hossein; Bahrpaima, Khatereh; Journal of Chemical and Engineering Data; vol. 54; nb.

3; (2009); p. 1009 - 1014, View in Reaxys 3 of 12

Description (Liquid/Liquid Liquid/liquid phase diagram Systems (MCS)) Temperature (Liquid/ Liquid Systems (MCS)) [°C]

25.04

Partner (Liquid/Liquid Systems (MCS))

1-decanol; water

Ghanadzadeh, Ali; Ghanadzadeh, Hossein; Bahrpaima, Khatereh; Journal of Chemical and Engineering Data; vol. 54; nb.

3; (2009); p. 1009 - 1014, View in Reaxys

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4 of 12

Description (Liquid/Liquid Critical solution temperature Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

H2O

Partner (Liquid/Liquid Systems (MCS))

poly-N-vinylcaprolactam

Kirsh; Popkov; Timashev; Russian Journal of Physical Chemistry A; vol. 73; nb. 3; (1999); p. 415 - 420, View in Reaxys 5 of 12

Description (Liquid/Liquid Solution equilibrium Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

H2O

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

37

Partner (Liquid/Liquid Systems (MCS))

[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid

Shawesh; Kallioinen; Hellen; Yliruusi; Pharmazie; vol. 53; nb. 8; (1998); p. 567 - 569, View in Reaxys 6 of 12

Description (Liquid/Liquid Solution equilibrium Systems (MCS)) Temperature (Liquid/ Liquid Systems (MCS)) [°C]

24.9 - 67.9

Partner (Liquid/Liquid Systems (MCS))

tetra-n-butylammonium picrate; 1-dodecyl alcohol

Narayanan, T.; Pitzer, Kenneth S.; Journal of Chemical Physics; vol. 102; nb. 20; (1995); p. 8118 - 8131, View in Reaxys 7 of 12

Description (Liquid/Liquid Critical solution temperature Systems (MCS)) Partner (Liquid/Liquid Systems (MCS))

tetra-n-butylammonium picrate; 1-dodecyl alcohol

Narayanan, T.; Pitzer, Kenneth S.; Journal of Chemical Physics; vol. 102; nb. 20; (1995); p. 8118 - 8131, View in Reaxys 8 of 12

Description (Liquid/Liquid Equilibrium of liquid phases Systems (MCS)) Temperature (Liquid/ Liquid Systems (MCS)) [°C]

31 - 116.1

Partner (Liquid/Liquid Systems (MCS))

toluene

Mandik, Lumir; Lesek, Frantisek; Collection of Czechoslovak Chemical Communications; vol. 47; nb. 6; (1982); p. 1686 1694, View in Reaxys 9 of 12

Description (Liquid/Liquid Solution equilibrium Systems (MCS)) Temperature (Liquid/ Liquid Systems (MCS)) [°C]

25 - 100

Partner (Liquid/Liquid Systems (MCS))

H2

Brunner, Erwin; Journal of Chemical Thermodynamics; vol. 12; nb. 10; (1980); p. 993 - 1002, View in Reaxys 10 of 12

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Levina; Zheleznyak; Russian Journal of Physical Chemistry; vol. 49; (1975); p. 499; ; p. 849, View in Reaxys; Thore; Baltscheffsky; Acta Chemica Scandinavica (1947-1973); vol. 19; (1965); p. 1600,1606, View in Reaxys

11 of 12

Description (Liquid/Liquid Equilibrium of liquid phases Systems (MCS))

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Miya et al.; A.C.S.Div.Petrol.Chem.Boston Meeting; vol. 18; (1973); p. 187,188, View in Reaxys 12 of 12

Description (Liquid/Liquid Critical solution temperature Systems (MCS)) Fischer et al.; Pharmazeutische Zentralhalle; vol. 105; (1966); p. 73,74, View in Reaxys

Liquid/Solid Systems (MCS) (2) 1 of 2

Description (Liquid/Solid Systems (MCS))

Liquid/solid phase diagram

Temperature (Liquid/Solid Systems (MCS)) [°C]

49.9 - 199.9

Partner (Liquid/Solid Systems (MCS))

potassium Behenate

Doerfler, H.-D.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 187; nb. 1; (1994); p. 135 - 152, View in Reaxys 2 of 2

Description (Liquid/Solid Systems (MCS))

Melting diagram

Ueberreiter; Steiner; Makromolekulare Chemie; vol. 74; (1964); p. 158,165,171, View in Reaxys Liquid/Vapour Systems (MCS) (35) 1 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

110

Partner (Liquid/Vapour Systems (MCS))

α-butyrolactone

Giles, Neil F.; Wilson, Grant M.; Journal of Chemical and Engineering Data; vol. 51; nb. 6; (2006); p. 1954 - 1962, View in Reaxys 2 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour phase diagram

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

110

Partner (Liquid/Vapour Systems (MCS))

α-butyrolactone

Giles, Neil F.; Wilson, Grant M.; Journal of Chemical and Engineering Data; vol. 51; nb. 6; (2006); p. 1954 - 1962, View in Reaxys 3 of 35

Description (Liquid/ Vapour Systems (MCS))

Activity coefficients of the components in the mixture

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

110

Partner (Liquid/Vapour Systems (MCS))

α-butyrolactone

Giles, Neil F.; Wilson, Grant M.; Journal of Chemical and Engineering Data; vol. 51; nb. 6; (2006); p. 1954 - 1962, View in Reaxys 4 of 35

Description (Liquid/ Vapour Systems (MCS))

Fugacities

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

110

Partner (Liquid/Vapour Systems (MCS))

α-butyrolactone

Giles, Neil F.; Wilson, Grant M.; Journal of Chemical and Engineering Data; vol. 51; nb. 6; (2006); p. 1954 - 1962, View in Reaxys

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5 of 35

Description (Liquid/ Vapour Systems (MCS))

Vapour pressure

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

66.45 - 85.45

Partner (Liquid/Vapour Systems (MCS))

1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

Vasiltsova, Tatiana V.; Verevkin, Sergey P.; Bich, Eckard; Heintz, Andreas; Bogel-Lukasik, Rafal; Domanska, Urszula; Journal of Chemical and Engineering Data; vol. 50; nb. 1; (2005); p. 142 - 148, View in Reaxys 6 of 35

Description (Liquid/ Vapour Systems (MCS))

Activity coefficients of the components in the mixture

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

66.45 - 85.45

Partner (Liquid/Vapour Systems (MCS))

1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

Vasiltsova, Tatiana V.; Verevkin, Sergey P.; Bich, Eckard; Heintz, Andreas; Bogel-Lukasik, Rafal; Domanska, Urszula; Journal of Chemical and Engineering Data; vol. 50; nb. 1; (2005); p. 142 - 148, View in Reaxys 7 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

90

Partner (Liquid/Vapour Systems (MCS))

ethanol

Seiler, Matthias; Buggert, Matthias; Kavarnou, Asimina; Arlt, Wolfgang; Journal of Chemical and Engineering Data; vol.

48; nb. 4; (2003); p. 933 - 937, View in Reaxys 8 of 35

Description (Liquid/ Vapour Systems (MCS))

Critical data for mixtures

Partner (Liquid/Vapour Systems (MCS))

tetra-n-butylammonium picrate

Oleinikova; Bonetti; Journal of Chemical Physics; vol. 115; nb. 21; (2001); p. 9871 - 9882, View in Reaxys 9 of 35

Description (Liquid/ Vapour Systems (MCS))

Critical data for mixtures

Partner (Liquid/Vapour Systems (MCS))

1-dodecyl alcohol; tetra-n-butylammonium picrate

Oleinikova; Bonetti; Journal of Chemical Physics; vol. 115; nb. 21; (2001); p. 9871 - 9882, View in Reaxys 10 of 35

Description (Liquid/ Vapour Systems (MCS))

Activity coefficients of the components in the mixture

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

26.3 - 76.8

Partner (Liquid/Vapour Systems (MCS))

H2O

Suleiman, David; Eckert, Charles A.; Journal of Chemical & Engineering Data; vol. 39; nb. 4; (1994); p. 692 - 696, View in Reaxys 11 of 35

Description (Liquid/ Vapour Systems (MCS))

Activity coefficients of the components in the mixture

Partner (Liquid/Vapour Systems (MCS))

Sulfamethoxypyridazine

Martin; Bustamante; Escalera; Selles; Journal of Pharmaceutical Sciences; vol. 78; nb. 8; (1989); p. 672 - 678, View in Reaxys

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12 of 35

Description (Liquid/ Vapour Systems (MCS))

Boiling points of mixtures

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

229.6

Pressure (Liquid/Vapour Systems (MCS)) [Torr]

759.8

Partner (Liquid/Vapour Systems (MCS))

pentadecanol

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 13 of 35

Description (Liquid/ Vapour Systems (MCS))

Boiling points of mixtures

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

133.8 - 166.5

Pressure (Liquid/Vapour Systems (MCS)) [Torr]

20.004 - 100

Partner (Liquid/Vapour Systems (MCS))

tetradecanol

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 14 of 35

Description (Liquid/ Vapour Systems (MCS))

Boiling points of mixtures

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

132.5 - 165.6

Pressure (Liquid/Vapour Systems (MCS)) [Torr]

20.004 - 100

Partner (Liquid/Vapour Systems (MCS))

tridecanol

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 15 of 35

Description (Liquid/ Vapour Systems (MCS))

Boiling points of mixtures

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

130 - 164.5

Pressure (Liquid/Vapour Systems (MCS)) [Torr]

20.004 - 100

Partner (Liquid/Vapour Systems (MCS))

dodecanol

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 16 of 35

Description (Liquid/ Vapour Systems (MCS))

Boiling points of mixtures

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

128.7 - 160.6

Pressure (Liquid/Vapour Systems (MCS)) [Torr]

20.004 - 100

Partner (Liquid/Vapour Systems (MCS))

undecanol

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Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 17 of 35

Description (Liquid/ Vapour Systems (MCS))

Boiling points of mixtures

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

122.7 - 155.6

Pressure (Liquid/Vapour Systems (MCS)) [Torr]

20.004 - 100

Partner (Liquid/Vapour Systems (MCS))

decanol

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 18 of 35

Description (Liquid/ Vapour Systems (MCS))

Boiling points of mixtures

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

113.2 - 147.6

Pressure (Liquid/Vapour Systems (MCS)) [Torr]

20.004 - 100

Partner (Liquid/Vapour Systems (MCS))

nonanol

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 19 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Pressure (Liquid/Vapour Systems (MCS)) [Torr]

760

Partner (Liquid/Vapour Systems (MCS))

octanol, nonane

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 20 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Pressure (Liquid/Vapour Systems (MCS)) [Torr]

760

Partner (Liquid/Vapour Systems (MCS))

octanol, decane

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 21 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Partner (Liquid/Vapour Systems (MCS))

octanol, undecane

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 22 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Partner (Liquid/Vapour Systems (MCS))

octanol, dodecane

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys

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Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Partner (Liquid/Vapour Systems (MCS))

octanol, tridecane

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 24 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Partner (Liquid/Vapour Systems (MCS))

nonanol, decane

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 25 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Partner (Liquid/Vapour Systems (MCS))

nonanol, undecane

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 26 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Partner (Liquid/Vapour Systems (MCS))

nonanol, dodecane

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 27 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Partner (Liquid/Vapour Systems (MCS))

nonanol, tridecane

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 28 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Partner (Liquid/Vapour Systems (MCS))

nonanol, tetradecane

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 29 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Partner (Liquid/Vapour Systems (MCS))

nonanol, pentadecane

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 30 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Partner (Liquid/Vapour Systems (MCS))

tridecanol, hexadecane

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 31 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Partner (Liquid/Vapour Systems (MCS))

tridecanol, heptadecane

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Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 32 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Pressure (Liquid/Vapour Systems (MCS)) [Torr]

100 - 772.6

Partner (Liquid/Vapour Systems (MCS))

tridecanol, nonadecane

Shleinikova, M. V.; Smirnova, T. N.; Kushner, T. M.; J. Appl. Chem. USSR (Engl. Transl.); vol. 60; nb. 10; (1987); p. 2281 2284,2109 - 2112, View in Reaxys 33 of 35

Description (Liquid/ Vapour Systems (MCS))

Activity coefficients of the components in the mixture

Solvent (Liquid/Vapour Systems (MCS))

H2O

Temperature (Liquid/ Vapour Systems (MCS)) [°C]

25

Partner (Liquid/Vapour Systems (MCS))

NaCl

Safonova, L. P.; Egorova, I. V.; Krestov, G. A.; Russian Journal of Physical Chemistry; vol. 60; nb. 7; (1986); p. 1059 - 1061; Zhurnal Fizicheskoi Khimii; vol. 60; (1986); p. 1770 - 1773, View in Reaxys 34 of 35

Description (Liquid/ Vapour Systems (MCS))

Liquid/vapour equilibrium

Jelinek et al.; Collection of Czechoslovak Chemical Communications; vol. 41; (1976); p. 2650,2652, 2655, View in Reaxys 35 of 35

Description (Liquid/ Vapour Systems (MCS))

Activity coefficients of the components in the mixture

Jelinek et al.; Collection of Czechoslovak Chemical Communications; vol. 41; (1976); p. 2650,2652, 2655, View in Reaxys Magnetic Susceptibility (1) References Seguin; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 228; (1949); p. 840, View in Reaxys; Gupta; Mital; Indian Journal of Chemistry; vol. 4; (1966); p. 370, View in Reaxys Mechanical & Physical Properties (MCS) (39) 1 of 39

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

19.99 - 54.99

Partner (Mechanical & Physical Properties (MCS))

trimethyleneglycol

Li, Qun-Sheng; Tian, Yuan-Ming; Wang, Shui; Journal of Chemical and Engineering Data; vol. 53; nb. 1; (2008); p. 271 274, View in Reaxys 2 of 39

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

19.99 - 54.99

Partner (Mechanical & Physical Properties (MCS))

propylene glycol

Li, Qun-Sheng; Tian, Yuan-Ming; Wang, Shui; Journal of Chemical and Engineering Data; vol. 53; nb. 1; (2008); p. 271 274, View in Reaxys

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3 of 39

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

19.99 - 54.99

Partner (Mechanical & Physical Properties (MCS))

ethylene glycol

Li, Qun-Sheng; Tian, Yuan-Ming; Wang, Shui; Journal of Chemical and Engineering Data; vol. 53; nb. 1; (2008); p. 271 274, View in Reaxys 4 of 39

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

24.99

Comment (Mechanical & Physical Properties (MCS))

equation

Partner (Mechanical & Physical Properties (MCS))

water

Romero, Carmen M.; Paez, Manuel S.; Journal of Solution Chemistry; vol. 36; nb. 2; (2007); p. 237 - 245, View in Reaxys 5 of 39

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Temperature (Mechanical & Physical Properties (MCS)) [°C]

24.99

Comment (Mechanical & Physical Properties (MCS))

diagram

Partner (Mechanical & Physical Properties (MCS))

water

Romero, Carmen M.; Paez, Manuel S.; Journal of Solution Chemistry; vol. 36; nb. 2; (2007); p. 237 - 245, View in Reaxys 6 of 39

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25.04 - 299.98

Pressure (Mechanical & Physical Properties (MCS)) [Torr]

3375.34 - 227273

Partner (Mechanical & Physical Properties (MCS))

H2O

Hyncica, Pavel; Hnedkovsky, Lubomir; Cibulka, Ivan; Journal of Chemical Thermodynamics; vol. 38; nb. 9; (2006); p. 1085 - 1091, View in Reaxys 7 of 39

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

34.99

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Partner (Mechanical & Physical Properties (MCS))

N,N-dimethyl-formamide

Mehta; Ram, Ganga; Mani, Chander; Bhasin; Journal of Chemical Thermodynamics; vol. 38; nb. 7; (2006); p. 836 - 848, View in Reaxys 8 of 39

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

35

Comment (Mechanical & Physical Properties (MCS))

diagram

Partner (Mechanical & Physical Properties (MCS))

2-pyrrolidone

Mehta; Ram, Ganga; Bhasin; Journal of Chemical Thermodynamics; vol. 37; nb. 8; (2005); p. 791 - 801, View in Reaxys 9 of 39

Description (Mechanical & Physical Properties (MCS))

Adiabatic compressibility

Temperature (Mechanical & Physical Properties (MCS)) [°C]

35

Comment (Mechanical & Physical Properties (MCS))

diagram

Partner (Mechanical & Physical Properties (MCS))

2-pyrrolidone

Mehta; Ram, Ganga; Bhasin; Journal of Chemical Thermodynamics; vol. 37; nb. 8; (2005); p. 791 - 801, View in Reaxys 10 of 39

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

35

Partner (Mechanical & Physical Properties (MCS))

2-pyrrolidone

Mehta; Ram, Ganga; Bhasin; Journal of Chemical Thermodynamics; vol. 37; nb. 8; (2005); p. 791 - 801, View in Reaxys 11 of 39

Description (Mechanical & Physical Properties (MCS))

Ultrasonic velocity

Temperature (Mechanical & Physical Properties (MCS)) [°C]

35

Partner (Mechanical & Physical Properties (MCS))

2-pyrrolidone

Mehta; Ram, Ganga; Bhasin; Journal of Chemical Thermodynamics; vol. 37; nb. 8; (2005); p. 791 - 801, View in Reaxys 12 of 39

Description (Mechanical & Physical Properties (MCS))

Adiabatic compressibility

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Temperature (Mechanical & Physical Properties (MCS)) [°C]

35

Partner (Mechanical & Physical Properties (MCS))

2-pyrrolidone

Mehta; Ram, Ganga; Bhasin; Journal of Chemical Thermodynamics; vol. 37; nb. 8; (2005); p. 791 - 801, View in Reaxys 13 of 39

Description (Mechanical & Physical Properties (MCS))

Ultrasonic velocity

Temperature (Mechanical & Physical Properties (MCS)) [°C]

24.99

Pressure (Mechanical & Physical Properties (MCS)) [Torr]

750.075 - 900090

Partner (Mechanical & Physical Properties (MCS))

H2O

Hakin, Andrew W.; Hoiland, Harald; Physical Chemistry Chemical Physics; vol. 7; nb. 10; (2005); p. 2199 - 2207, View in Reaxys 14 of 39

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Temperature (Mechanical & Physical Properties (MCS)) [°C]

24.99

Pressure (Mechanical & Physical Properties (MCS)) [Torr]

750.075 - 900090

Partner (Mechanical & Physical Properties (MCS))

H2O

Hakin, Andrew W.; Hoiland, Harald; Physical Chemistry Chemical Physics; vol. 7; nb. 10; (2005); p. 2199 - 2207, View in Reaxys 15 of 39

Description (Mechanical & Physical Properties (MCS))

Adiabatic compressibility

Temperature (Mechanical & Physical Properties (MCS)) [°C]

24.99

Pressure (Mechanical & Physical Properties (MCS)) [Torr]

750.075 - 900090

Partner (Mechanical & Physical Properties (MCS))

H2O

Hakin, Andrew W.; Hoiland, Harald; Physical Chemistry Chemical Physics; vol. 7; nb. 10; (2005); p. 2199 - 2207, View in Reaxys 16 of 39

Description (Mechanical & Physical Properties (MCS))

Isothermal compressibility

Temperature (Mechanical & Physical Properties (MCS)) [°C]

24.99

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Pressure (Mechanical & Physical Properties (MCS)) [Torr]

750.075 - 900090

Partner (Mechanical & Physical Properties (MCS))

H2O

Hakin, Andrew W.; Hoiland, Harald; Physical Chemistry Chemical Physics; vol. 7; nb. 10; (2005); p. 2199 - 2207, View in Reaxys 17 of 39

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

20 - 80

Partner (Mechanical & Physical Properties (MCS))

H2O

Yang, Changsheng; Ma, Peisheng; Zhou, Qing; Journal of Chemical and Engineering Data; vol. 49; nb. 3; (2004); p. 582 587, View in Reaxys 18 of 39

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Comment (Mechanical & Physical Properties (MCS))

concentration dependence. Object(s) of Study: diagram

Partner (Mechanical & Physical Properties (MCS))

1-dodecyl alcohol

DiI ez-Pascual, Ana; Ortega, Francisco; Crespo-ColiI n, Amalia; Compostizo, Aurora; Monroy, Francisco; Rubio, RamoI n G.; Journal of Physical Chemistry B; vol. 108; nb. 28; (2004); p. 10019 - 10024, View in Reaxys 19 of 39

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25 - 45

Partner (Mechanical & Physical Properties (MCS))

H2O

George, John; Sastry, Nandhibatla V.; Journal of Chemical and Engineering Data; vol. 48; nb. 6; (2003); p. 1520 - 1539, View in Reaxys 20 of 39

Description (Mechanical & Physical Properties (MCS))

Ultrasonic velocity

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25 - 65

Partner (Mechanical & Physical Properties (MCS))

H2O

George, John; Sastry, Nandhibatla V.; Journal of Chemical and Engineering Data; vol. 48; nb. 6; (2003); p. 1520 - 1539, View in Reaxys 21 of 39

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

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Temperature (Mechanical & Physical Properties (MCS)) [°C]

25

Partner (Mechanical & Physical Properties (MCS))

H2O

Hawrylak, Brent; Gracie, Kim; Palepu; Journal of Solution Chemistry; vol. 27; nb. 1; (1998); p. 17 - 31, View in Reaxys 22 of 39

Description (Mechanical & Physical Properties (MCS))

Adiabatic compressibility

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25

Partner (Mechanical & Physical Properties (MCS))

H2O

Hawrylak, Brent; Gracie, Kim; Palepu; Journal of Solution Chemistry; vol. 27; nb. 1; (1998); p. 17 - 31, View in Reaxys 23 of 39

Description (Mechanical & Physical Properties (MCS))

Adiabatic compressibility

Temperature (Mechanical & Physical Properties (MCS)) [°C]

24.9 - 44.9

Partner (Mechanical & Physical Properties (MCS))

H2O

Hawrylak, Brent; Gracie, Kim; Palepu; Canadian Journal of Chemistry; vol. 76; nb. 4; (1998); p. 464 - 468, View in Reaxys 24 of 39

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Temperature (Mechanical & Physical Properties (MCS)) [°C]

24.9 - 44.9

Partner (Mechanical & Physical Properties (MCS))

H2O

Hawrylak, Brent; Gracie, Kim; Palepu; Canadian Journal of Chemistry; vol. 76; nb. 4; (1998); p. 464 - 468, View in Reaxys 25 of 39

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25 - 250

Pressure (Mechanical & Physical Properties (MCS)) [Torr]

210017

Partner (Mechanical & Physical Properties (MCS))

H2O

Criss; Wood; Journal of Chemical Thermodynamics; vol. 28; nb. 7; (1996); p. 723 - 741, View in Reaxys 26 of 39

Description (Mechanical & Physical Properties (MCS))

Adiabatic compressibility

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25

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Partner (Mechanical & Physical Properties (MCS))

water

Safonova, L. P.; Korolev, V. V.; Russian Journal of Applied Chemistry; vol. 67; nb. 9.1; (1994); p. 1301 - 1304; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 67; nb. 9; (1994); p. 1482 - 1485, View in Reaxys 27 of 39

Description (Mechanical & Physical Properties (MCS))

Adiabatic compressibility

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25

Partner (Mechanical & Physical Properties (MCS))

water, LiCl

Safonova, L. P.; Korolev, V. V.; Russian Journal of Applied Chemistry; vol. 67; nb. 9.1; (1994); p. 1301 - 1304; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 67; nb. 9; (1994); p. 1482 - 1485, View in Reaxys 28 of 39

Description (Mechanical & Physical Properties (MCS))

Adiabatic compressibility

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25

Partner (Mechanical & Physical Properties (MCS))

water, NaCl

Safonova, L. P.; Korolev, V. V.; Russian Journal of Applied Chemistry; vol. 67; nb. 9.1; (1994); p. 1301 - 1304; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 67; nb. 9; (1994); p. 1482 - 1485, View in Reaxys 29 of 39

Description (Mechanical & Physical Properties (MCS))

Adiabatic compressibility

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25

Partner (Mechanical & Physical Properties (MCS))

water, KCl

Safonova, L. P.; Korolev, V. V.; Russian Journal of Applied Chemistry; vol. 67; nb. 9.1; (1994); p. 1301 - 1304; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 67; nb. 9; (1994); p. 1482 - 1485, View in Reaxys 30 of 39

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Temperature (Mechanical & Physical Properties (MCS)) [°C]

15 - 55

Partner (Mechanical & Physical Properties (MCS))

water

Safonova, L. P.; Korolev, V. V.; Russian Journal of Applied Chemistry; vol. 67; nb. 9.1; (1994); p. 1301 - 1304; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 67; nb. 9; (1994); p. 1482 - 1485, View in Reaxys 31 of 39

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Temperature (Mechanical & Physical Properties (MCS)) [°C]

60

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Partner (Mechanical & Physical Properties (MCS))

ethanol

Itsuki, Hidenori; Kuwabara, Mikizo; Hayase, Kouji; Terasawa, Seiji; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1989); p. 563 - 572, View in Reaxys 32 of 39

Description (Mechanical & Physical Properties (MCS))

Adiabatic compressibility

Temperature (Mechanical & Physical Properties (MCS)) [°C]

20 - 60

Partner (Mechanical & Physical Properties (MCS))

water

Zhumaev, T.; Adamenkova, M. D.; Russian Journal of Physical Chemistry; vol. 57; nb. 3; (1983); p. 475 - 476; Zhurnal Fizicheskoi Khimii; vol. 57; (1983); p. 775 - 776, View in Reaxys 33 of 39

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Temperature (Mechanical & Physical Properties (MCS)) [°C]

25 - 100

Partner (Mechanical & Physical Properties (MCS))

H2

Brunner, Erwin; Journal of Chemical Thermodynamics; vol. 12; nb. 10; (1980); p. 993 - 1002, View in Reaxys 34 of 39

Description (Mechanical & Physical Properties (MCS))

Isothermal compressibility

Temperature (Mechanical & Physical Properties (MCS)) [°C]

5 - 25

Partner (Mechanical & Physical Properties (MCS))

H2O

Hoiland, Harald; Journal of Solution Chemistry; vol. 9; (1980); p. 857 - 866, View in Reaxys 35 of 39

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Temperature (Mechanical & Physical Properties (MCS)) [°C]

5 - 25

Partner (Mechanical & Physical Properties (MCS))

H2O

Hoiland, Harald; Journal of Solution Chemistry; vol. 9; (1980); p. 857 - 866, View in Reaxys 36 of 39

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Hoiland; Journal of Solution Chemistry; vol. 5; (1976); p. 773,774, 777, View in Reaxys; Hoiland; Vikingstad; Acta Chemica Scandinavica, Series A: Physical and Inorganic Chemistry; vol. 30; (1976); p. 182,184, View in Reaxys; Harada et al.; Journal of Solution Chemistry; vol. 7; (1978); p. 463, View in Reaxys; Edward et al.; Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; vol. 73; (1977); p. 705,707, View in Reaxys; Nakajima et al.; Bulletin of the Chemical Society of Japan; vol. 48; (1975); p. 783,784, View in Reaxys 37 of 39

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

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Nakanishi et al.; Journal of Physical Chemistry; vol. 71; (1967); p. 814, View in Reaxys; Hamann; Smith; Australian Journal of Chemistry; vol. 24; (1971); p. 2431,2433,2437, View in Reaxys 38 of 39

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

15

Partner (Mechanical & Physical Properties (MCS))

1,4-dioxane

Harms; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 53; (1943); p. 280,298, 306, View in Reaxys 39 of 39

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechanical & Physical Properties (MCS)) [°C]

30

Partner (Mechanical & Physical Properties (MCS))

1,4-dioxane

Harms; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 53; (1943); p. 280,298, 306, View in Reaxys Mechanical Properties (6) Description (MeComment (MeReferences chanical Properties) chanical Properties) Molar volume

Liquid

Compressibility

Hnedkovsky, Lubomir; Cibulka, Ivan; Journal of Chemical and Engineering Data; vol. 58; nb.

2; (2013); p. 388 - 397, View in Reaxys; Srinivasu; Narendra; Kavitha, Ch.; Subba Rao; Journal of Solution Chemistry; vol. 46; nb. 11; (2017); p. 2066 - 2090, View in Reaxys Hoiland; Vikingstad; Acta Chemica Scandinavica, Series A: Physical and Inorganic Chemistry; vol. 30; (1976); p. 692, View in Reaxys; Persianowa; Tarasow; Izvestiya Vysshikh Uchebnykh Zavedenii, Khimiya i Khimicheskaya Tekhnologiya; vol. 3; nb. 1; (1960); p. 4,5-7; Chem.Abstr.; nb. 16119; (1960), View in Reaxys; Petit; Minassian; Journal of Chemical Thermodynamics; vol.

6; (1974); p. 1139,1146, View in Reaxys; Hoiland; Journal of Solution Chemistry; vol. 6; (1977); p. 291,293, View in Reaxys; Rodnikova; Troitskii; Solonina; Val'Kovskaya; Sirotkin; Russian Journal of Physical Chemistry A; vol. 87; nb. 8; (2013); p. 1427 - 1429; Zh. Fiz. Khim.; vol. 87; nb. 8; (2013); p. 1435 - 1437, View in Reaxys

Molar volume

temperature dependence

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

Molar volume

diagram. Object(s) of Study: ambient temperature. Object(s) of Study: pressure dependence

Compostizo, Aurora; Diez-Pascual, Ana; Colin, Amalia Crespo; Rubio, Ramon G.; Journal of Chemical and Engineering Data; vol. 50; nb. 2; (2005); p. 591 - 595, View in Reaxys

Molar volume

Ksiazczak; Roczniki Chemii; vol. 51; (1977); p. 601,603, View in Reaxys; Terasawa et al.; Journal of Physical Chemistry; vol. 79; (1975); p. 2345,2346-2351, View in Reaxys; Jolicoeur; Lacroix; Canadian Journal of Chemistry; vol. 54; (1976); p. 624,626, View in Reaxys; Nakajima et al.; Bulletin of the Chemical Society of Japan; vol. 48; (1975); p. 783,784, View in Reaxys

PVT Relationship

Gardner; Hussain; Journal of Chemical Thermodynamics; vol. 4; (1972); p. 819,820,824-826, View in Reaxys

Molecular Deformation (2) Description (MoReferences lecular Deformation) Rotational constants

Evangelisti, Luca; Gou, Qian; Spada, Lorenzo; Feng, Gang; Caminati, Walther; Chemical Physics Letters; vol.

556; (2013); p. 55 - 58, View in Reaxys

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Centrifugal distortion constant(s)

Evangelisti, Luca; Gou, Qian; Spada, Lorenzo; Feng, Gang; Caminati, Walther; Chemical Physics Letters; vol.

556; (2013); p. 55 - 58, View in Reaxys

Optics (1) Description (Optics)

References

Diffraction

Traetteberg, Marit; Hedberg, Kenneth; Journal of the American Chemical Society; vol. 116; nb. 4; (1994); p. 1382 1387, View in Reaxys

Other Thermochemical Data (6) Description (Other References Thermochemical Data) Enthalpy of self-as- Castronuovo; Elia; Niccoli; Velleca; Physical Chemistry Chemical Physics; vol. 3; nb. 12; (2001); p. 2488 - 2492, sociation View in Reaxys Heat of combustion Knauth, P.; Sabbah, R.; Journal of Chemical Thermodynamics; vol. 21; nb. 2; (1989); p. 203 - 210, View in Reaxys at constant volume Enthalpy

Luk'janenko et al.; Voprosy Stereokhimii; vol. 6; (1977); p. 97, View in Reaxys; Busfield et al.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 29; (1973); p. 1259,1260, 1262, View in Reaxys

Heat capacity

Jolicoeur; Lacroix; Canadian Journal of Chemistry; vol. 54; (1976); p. 624,626, View in Reaxys; Kawaizumi et al.; Nippon Kagaku Kaishi; (1972); p. 1773, View in Reaxys

Entropy

Busfield et al.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 29; (1973); p. 1259,1260, 1262, View in Reaxys

Thermodynamic properties

Hamann; Smith; Australian Journal of Chemistry; vol. 24; (1971); p. 2431,2433,2437, View in Reaxys; Busfield et al.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 29; (1973); p. 1259,1260, 1262, View in Reaxys

Partition octan-1-ol/water (MCS) (1) 1 of 1

log POW

-0.23

Magenau, Andrew J. D.; Richards, Jeffrey A.; Pasquinelli, Melissa A.; Savin, Daniel A.; Mathers, Robert T.; Macromolecules; vol. 48; nb. 19; (2015); p. 7230 - 7236, View in Reaxys Solubility (MCS) (7) 1 of 7

Comment (Solubility (MCS))

highly soluble in water

Li, Xiaolin; Zhou, Pu; Wu, Wenxuan; Zhan, Li; Liu, Ting; Yang, Fan; Tang, Jie; Yu, Shanbao; Li, Hui; Luo, Yu; Heterocycles; vol. 96; nb. 3; (2018); p. 483 - 490, View in Reaxys 2 of 7

Comment (Solubility (MCS))

soluble in water

Jeyabharathi; Karthik, P. Esakki; Phani; RSC Advances; vol. 4; nb. 15; (2014); p. 7780 - 7785, View in Reaxys 3 of 7

Comment (Solubility (MCS))

von H2 =f(p,T) T=25grad, 50grad, 100grad

Brunner; Journal of Chemical Thermodynamics; vol. 12; (1980); p. 993,995, 996, View in Reaxys 4 of 7

Comment (Solubility (MCS))

Loesl. in n-Hexan

Nazarova et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 41; (1968); p. 144,130, View in Reaxys 5 of 7

Solvent (Solubility (MCS))

heptane

Comment (Solubility (MCS))

at:27-68 degreeC.

Staveley; Milward; Journal of the Chemical Society; (1957); p. 4369,4372, View in Reaxys 6 of 7

Solvent (Solubility (MCS))

cyclohexane

Comment (Solubility (MCS))

at:27-68 degreeC.

Staveley; Milward; Journal of the Chemical Society; (1957); p. 4369,4372, View in Reaxys

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7 of 7

Solvent (Solubility (MCS))

benzene

Comment (Solubility (MCS))

at:27-68 degreeC.

Staveley; Milward; Journal of the Chemical Society; (1957); p. 4369,4372, View in Reaxys Solution Behaviour (MCS) (4) 1 of 4

Description (Solution Behaviour (MCS))

Dissolving capacity

Partner (Solution Behaviour (MCS))

3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate

Kaar, Joel L.; Jesionowski, Anita M.; Berberich, Jason A.; Moulton, Roger; Russell, Alan J.; Journal of the American Chemical Society; vol. 125; nb. 14; (2003); p. 4125 - 4131, View in Reaxys 2 of 4

Description (Solution Behaviour (MCS))

Dissolving capacity

Raridon; Kraus; Journal of Chemical and Engineering Data; vol. 16; (1971); p. 241,242, View in Reaxys; Jeandu et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 68; (1971); p. 1472, View in Reaxys; Parizheva et al.; Russian Journal of Physical Chemistry; vol. 48; (1974); p. 1495; ; p. 2533, View in Reaxys 3 of 4

Description (Solution Behaviour (MCS))

Dissolving capacity

Temperature (Solution Be- 0 - 39 haviour (MCS)) [°C] Partner (Solution Behaviour (MCS))

hydrogenchloride

Gerrard; Macklen; Chemistry and Industry (London, United Kingdom); (1959); p. 1521, View in Reaxys; Gerrard; Macklen; Journal of Applied Chemistry; vol. 10; (1960); p. 57,59, View in Reaxys 4 of 4

Description (Solution Behaviour (MCS))

Miscibility

Partner (Solution Behaviour (MCS))

water

Hamonet; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 132; (1901); p. 632; Bulletin de la Societe Chimique de France; vol. <3>33; (1905); p. 523, View in Reaxys Sound Properties (3) Description (Sound References Properties) Ultrasonic velocity

George, John; Sastry, Nandhibatla V.; Journal of Chemical and Engineering Data; vol. 48; nb. 6; (2003); p. 1520 1539, View in Reaxys; Mehta; Ram, Ganga; Bhasin; Journal of Chemical Thermodynamics; vol. 37; nb. 8; (2005); p.

791 - 801, View in Reaxys; Mehta; Ram, Ganga; Mani, Chander; Bhasin; Journal of Chemical Thermodynamics; vol. 38; nb. 7; (2006); p. 836 - 848, View in Reaxys

Velocity of sound

Safonova, L. P.; Korolev, V. V.; Russian Journal of Applied Chemistry; vol. 67; nb. 9.1; (1994); p. 1301 - 1304; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 67; nb. 9; (1994); p. 1482 - 1485, View in Reaxys; Hawrylak, Brent; Gracie, Kim; Palepu; Journal of Solution Chemistry; vol. 27; nb. 1; (1998); p. 17 - 31, View in Reaxys; Hawrylak, Brent; Gracie, Kim; Palepu; Canadian Journal of Chemistry; vol. 76; nb. 4; (1998); p. 464 - 468, View in Reaxys

Sound absorption

Blandamer et al.; Transactions of the Faraday Society; vol. 65; (1969); p. 1805,1807, View in Reaxys

Space Group (1) Space Group

References

14

Thalladi, Venkat R.; Boese, Roland; Weiss, Hans-Christoph; Angewandte Chemie (International Edition in English); vol. 39; nb. 5; (2000); p. X918-922, View in Reaxys

Static Dielectric Constant (21) Static Dielectric Temperature (Static Comment (Static Constant Dielectric ConDielectric Constant) [°C] stant) 20.91

24.84

Copyright © 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

References

Zhuravlev; Lifanova; Usacheva; Vydrina; Russian Journal of Physical Chemistry A; vol. 82; nb. 3; (2008); p. 490 - 491, View in Reaxys

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31.7

19.84

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

31.23

24.84

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

30.2

29.84

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

28.72

39.84

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

27.23

49.84

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

25.27

59.84

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

23.91

69.84

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

22.77

79.84

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

21.64

89.84

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

20.5

99.84

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

19.36

109.84

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

18.41

119.84

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

17.59

129.84

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

16.68

139.84

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

15.73

149.84

Zhuravlev; Usacheva; Lifanova; Vydrina; Russian Journal of General Chemistry; vol. 78; nb. 6; (2008); p. 1189 - 1196, View in Reaxys

26.453 - 31.822

25 - 55

George, John; Sastry, Nandhibatla V.; Journal of Chemical and Engineering Data; vol. 48; nb. 6; (2003); p. 1520 - 1539, View in Reaxys

30.9

20

2.8

25

Wang; Pottel; Kaatze; Journal of Physical Chemistry B; vol. 101; nb. 6; (1997); p. 922 - 929, View in Reaxys

21.83 - 33.43

10 - 90

Grineva; Zhuravlev; Journal of Chemical and Engineering Data; vol. 41; nb. 3; (1996); p. 604 - 607, View in Reaxys

31.9

25

Safonova, L. P.; Egorova, I. V.; Krestov, G. A.; Russian Journal of Physical Chemistry; vol. 57; nb. 6; (1983); p. 941 - 942; Zhurnal Fizicheskoi Khimii; vol. 57; (1983); p. 1552 - 1554, View in Reaxys

Surface Tension (6) Surface Tension Temperature (Sur[g·s-2] face Tension) [°C]

frequency dependence. Object(s) of Study: diagram

Comment (Surface Tension)

Hanna; Gestblom; Soliman; Physical Chemistry Chemical Physics; vol. 2; nb. 22; (2000); p. 5071 - 5075, View in Reaxys

References

temperature deDiI ez-Pascual, Ana; Ortega, Francisco; Crespo-ColiI n, Amalia; Compendence. Object(s) postizo, Aurora; Monroy, Francisco; Rubio, RamoI n G.; Journal of of Study: diagram Physical Chemistry B; vol. 108; nb. 28; (2004); p. 10019 - 10024, View in Reaxys 45.5

25

Hawrylak, Brent; Andrecyk, Stacey; Gabriel, Carrie-Ellen; Gracie, Kim; Palepu; Journal of Solution Chemistry; vol. 27; nb. 9; (1998); p. 827 841, View in Reaxys

47.4

20

De Lourdes Costa; Baszkin; Journal of Pharmacy and Pharmacology; vol.

37; nb. 7; (1985); p. 445 - 460, View in Reaxys

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Nakanishi et al.; Journal of Chemical and Engineering Data; vol. 16; (1971); p. 44,45, View in Reaxys 44.6

20

Schulman; Zisman; J.Colloid Sci.; vol. 7; (1952); p. 465,468, View in Reaxys

45.27

22

Dunken; Klapproth; Wolf; Kolloid-Zeitschrift; vol. 91; (1940); p. 238; Chem.Abstr.; (1941); p. 675, View in Reaxys

Transport Data (1) Description (Trans- References port Data) Thermal conductiv- Mallan et al.; Journal of Chemical and Engineering Data; vol. 17; (1972); p. 412,414, View in Reaxys ity Transport Phenomena (MCS) (13) 1 of 13

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport Phenomena (MCS)) [°C]

34.99

Partner (Transport Phenomena (MCS))

N,N-dimethyl-formamide

Mehta; Ram, Ganga; Mani, Chander; Bhasin; Journal of Chemical Thermodynamics; vol. 38; nb. 7; (2006); p. 836 - 848, View in Reaxys 2 of 13

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport Phenomena (MCS)) [°C]

35

Partner (Transport Phenomena (MCS))

2-pyrrolidone

Mehta; Ram, Ganga; Bhasin; Journal of Chemical Thermodynamics; vol. 37; nb. 8; (2005); p. 791 - 801, View in Reaxys 3 of 13

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport Phenomena (MCS)) [°C]

35

Comment (Transport Phenomena (MCS))

diagram

Partner (Transport Phenomena (MCS))

2-pyrrolidone

Mehta; Ram, Ganga; Bhasin; Journal of Chemical Thermodynamics; vol. 37; nb. 8; (2005); p. 791 - 801, View in Reaxys 4 of 13

Description (Transport Phenomena (MCS))

Dynamic viscosity

Temperature (Transport Phenomena (MCS)) [°C]

20 - 80

Partner (Transport Phenomena (MCS))

H2O

Yang, Changsheng; Ma, Peisheng; Zhou, Qing; Journal of Chemical and Engineering Data; vol. 49; nb. 3; (2004); p. 582 587, View in Reaxys 5 of 13

Description (Transport Phenomena (MCS))

Dynamic viscosity

Temperature (Transport Phenomena (MCS)) [°C]

25 - 65

Partner (Transport Phenomena (MCS))

H2O

George, John; Sastry, Nandhibatla V.; Journal of Chemical and Engineering Data; vol. 48; nb. 6; (2003); p. 1520 - 1539, View in Reaxys

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6 of 13

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport Phenomena (MCS)) [°C]

69.85

Partner (Transport Phenomena (MCS))

tetra-n-butylammonium picrate

Oleinikova; Bonetti; Journal of Chemical Physics; vol. 115; nb. 21; (2001); p. 9871 - 9882, View in Reaxys 7 of 13

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport Phenomena (MCS)) [°C]

69.85

Partner (Transport Phenomena (MCS))

1-dodecyl alcohol; tetra-n-butylammonium picrate

Oleinikova; Bonetti; Journal of Chemical Physics; vol. 115; nb. 21; (2001); p. 9871 - 9882, View in Reaxys 8 of 13

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport Phenomena (MCS)) [°C]

25 - 45

Partner (Transport Phenomena (MCS))

H2O

Hawrylak, Brent; Andrecyk, Stacey; Gabriel, Carrie-Ellen; Gracie, Kim; Palepu; Journal of Solution Chemistry; vol. 27; nb. 9; (1998); p. 827 - 841, View in Reaxys 9 of 13

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport Phenomena (MCS)) [°C]

15 - 55

Partner (Transport Phenomena (MCS))

water

Safonova, L. P.; Korolev, V. V.; Russian Journal of Applied Chemistry; vol. 67; nb. 9.1; (1994); p. 1301 - 1304; Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation); vol. 67; nb. 9; (1994); p. 1482 - 1485, View in Reaxys 10 of 13

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport Phenomena (MCS)) [°C]

25

Partner (Transport Phenomena (MCS))

water

Bald, Adam; Szejgin, Adam; Woznicka, Jadwiga; Jozwiak, Malgorzata; Journal of Chemical Research, Miniprint; nb. 4; (1992); p. 923 - 937, View in Reaxys 11 of 13

Description (Transport Phenomena (MCS))

Diffusion

Temperature (Transport Phenomena (MCS)) [°C]

5.1 - 100.1

Partner (Transport Phenomena (MCS))

ethanol

Tominaga; Matsumoto; Bulletin of the Chemical Society of Japan; vol. 63; nb. 2; (1990); p. 533 - 537, View in Reaxys 12 of 13

Description (Transport Phenomena (MCS))

Diffusion

Temperature (Transport Phenomena (MCS)) [°C]

5.1 - 100.1

Partner (Transport Phenomena (MCS))

water

Tominaga; Matsumoto; Bulletin of the Chemical Society of Japan; vol. 63; nb. 2; (1990); p. 533 - 537, View in Reaxys

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13 of 13

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport Phenomena (MCS)) [°C]

20 - 60

Partner (Transport Phenomena (MCS))

water

Zhumaev, T.; Adamenkova, M. D.; Russian Journal of Physical Chemistry; vol. 57; nb. 3; (1983); p. 475 - 476; Zhurnal Fizicheskoi Khimii; vol. 57; (1983); p. 775 - 776, View in Reaxys Triple Point (1) Triple Point [°C]

References

16.75

Knauth, P.; Sabbah, R.; Canadian Journal of Chemistry; vol. 68; nb. 5; (1990); p. 731 - 734, View in Reaxys

Vapour Pressure (4) Vapour Pressure Temperature (Va[Torr] pour Pressure) [°C]

Comment (Vapour Pressure)

References

4.9805

110

Giles, Neil F.; Wilson, Grant M.; Journal of Chemical and Engineering Data; vol. 51; nb. 6; (2006); p. 1954 - 1962, View in Reaxys

0.103883 - 1.41761

56.05 - 90.05

Vasiltsova, Tatiana V.; Verevkin, Sergey P.; Bich, Eckard; Heintz, Andreas; Bogel-Lukasik, Rafal; Domanska, Urszula; Journal of Chemical and Engineering Data; vol. 50; nb. 1; (2005); p. 142 - 148, View in Reaxys

1323.86 - 41373.3

248.85 - 450.65

Equation: ln(P/ Wilson, Grant M.; VonNiederhausern, David M.; Giles, Neil F.; Journal Pa)=154.7833-1597 of Chemical and Engineering Data; vol. 47; nb. 4; (2002); p. 761 - 764, 8.3/(T/ View in Reaxys K)-17.9329ln(T/K) +6.068987E-...

Jaulmes,P.; Bulletin de la Societe Chimique de France; (1969); p. 3337 3349, View in Reaxys; Brunner; Journal of Chemical Thermodynamics; vol. 12; (1980); p. 993,995, 996, View in Reaxys

NMR Spectroscopy (51) 1 of 51

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

1H

Yue, Xiaoqing; Zhao, Long; Ma, Liang; Shi, Huihu; Yang, Tingyu; Zhang, Jianbin; Journal of Molecular Liquids; vol. 263; (2018); p. 40 - 48, View in Reaxys 2 of 51

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Frequency (NMR Spectro- 400 scopy) [MHz] Motokucho, Suguru; Yamaguchi, Akito; Nakayama, Yu; Morikawa, Hiroshi; Nakatani, Hisayuki; Journal of Polymer Science, Part A: Polymer Chemistry; vol. 55; nb. 12; (2017); p. 2004 - 2010, View in Reaxys 3 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 400 scopy) [MHz] Tsai, Bing-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung; European Journal of Inorganic Chemistry; vol. 2016; nb. 17; (2016); p. 2783 - 2790, View in Reaxys

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4 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 100 scopy) [MHz] Tsai, Bing-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung; European Journal of Inorganic Chemistry; vol. 2016; nb. 17; (2016); p. 2783 - 2790, View in Reaxys 5 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

chloroform-d1

Lomas, John S.; Magnetic Resonance in Chemistry; vol. 52; nb. 3; (2014); p. 87 - 97, View in Reaxys; Pellis, Alessandro; Corici, Livia; Sinigoi, Loris; D'Amelio, Nicola; Fattor, Diana; Ferrario, Valerio; Ebert, Cynthia; Gardossi, Lucia; Green Chemistry; vol. 17; nb. 3; (2015); p. 1756 - 1766, View in Reaxys 6 of 51

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

water-d2

Frequency (NMR Spectro- 400 scopy) [MHz] Location

supporting information

Chatterjee, Basujit; Gunanathan, Chidambaram; Organic Letters; vol. 17; nb. 19; (2015); p. 4794 - 4797, View in Reaxys 7 of 51

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 500 scopy) [MHz] Location

supporting information

Santra, Surojit; Guin, Joyram; European Journal of Organic Chemistry; vol. 2015; nb. 33; (2015); p. 7253 - 7257, View in Reaxys 8 of 51

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 100 scopy) [MHz] Location

supporting information

Santra, Surojit; Guin, Joyram; European Journal of Organic Chemistry; vol. 2015; nb. 33; (2015); p. 7253 - 7257, View in Reaxys

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9 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

perdeuteriopyridine

Lomas, John S.; Magnetic Resonance in Chemistry; vol. 52; nb. 3; (2014); p. 87 - 97, View in Reaxys 10 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Lomas, John S.; Magnetic Resonance in Chemistry; vol. 52; nb. 3; (2014); p. 87 - 97, View in Reaxys 11 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

dichloromethane-d2

Lomas, John S.; Magnetic Resonance in Chemistry; vol. 52; nb. 3; (2014); p. 87 - 97, View in Reaxys 12 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

[D3]acetonitrile

Lomas, John S.; Magnetic Resonance in Chemistry; vol. 52; nb. 3; (2014); p. 87 - 97, View in Reaxys 13 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

benzene-d6

Lomas, John S.; Magnetic Resonance in Chemistry; vol. 52; nb. 3; (2014); p. 87 - 97, View in Reaxys 14 of 51

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Location

supporting information

Chakraborty, Sumit; Dai, Huiguang; Bhattacharya, Papri; Fairweather, Neil T.; Gibson, Michael S.; Krause, Jeanette A.; Guan, Hairong; Journal of the American Chemical Society; vol. 136; nb. 22; (2014); p. 7869 - 7872, View in Reaxys 15 of 51

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Location

supporting information

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Chakraborty, Sumit; Dai, Huiguang; Bhattacharya, Papri; Fairweather, Neil T.; Gibson, Michael S.; Krause, Jeanette A.; Guan, Hairong; Journal of the American Chemical Society; vol. 136; nb. 22; (2014); p. 7869 - 7872, View in Reaxys 16 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 400 scopy) [MHz] Location

supporting information

Li, Wei; Xie, Jian-Hua; Yuan, Ming-Lei; Zhou, Qi-Lin; Green Chemistry; vol. 16; nb. 9; (2014); p. 4081 - 4085, View in Reaxys 17 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Temperature (NMR Spectroscopy) [°C]

25

Frequency (NMR Spectro- 300 scopy) [MHz] Location

supporting information

Vom Stein, Thorsten; Meuresch, Markus; Limper, Dominik; Schmitz, Marc; Hölscher, Markus; Coetzee, Jacorien; ColeHamilton, David J.; Klankermayer, Jürgen; Leitner, Walter; Journal of the American Chemical Society; vol. 136; nb. 38; (2014); p. 13217 - 13225, View in Reaxys 18 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

[(2)H6]acetone

Temperature (NMR Spectroscopy) [°C]

25

Frequency (NMR Spectro- 75 scopy) [MHz] Location

supporting information

Vom Stein, Thorsten; Meuresch, Markus; Limper, Dominik; Schmitz, Marc; Hölscher, Markus; Coetzee, Jacorien; ColeHamilton, David J.; Klankermayer, Jürgen; Leitner, Walter; Journal of the American Chemical Society; vol. 136; nb. 38; (2014); p. 13217 - 13225, View in Reaxys 19 of 51

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

chloroform-d1

Temperature (NMR Spectroscopy) [°C]

24.84

Frequency (NMR Spectro- 400 scopy) [MHz] Chen, Yu; Cao, Derong; Wang, Lingyun; He, Minqing; Zhou, Lixia; Schollmeyer, Dieter; Meier, Herbert; Chemistry - A European Journal; vol. 19; nb. 22; (2013); p. 7064 - 7070, View in Reaxys

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20 of 51

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

chloroform-d1

Temperature (NMR Spectroscopy) [°C]

24.84

Frequency (NMR Spectro- 400 scopy) [MHz] Chen, Yu; He, Minqing; Li, Boqi; Wang, Lingyun; Meier, Herbert; Cao, Derong; RSC Advances; vol. 3; nb. 44; (2013); p.

21405 - 21408, View in Reaxys 21 of 51

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 300 scopy) [MHz] Location

supporting information

Kuriyama, Wataru; Matsumoto, Takaji; Ogata, Osamu; Ino, Yasunori; Aoki, Kunimori; Tanaka, Shigeru; Ishida, Kenya; Kobayashi, Tohru; Sayo, Noboru; Saito, Takao; Organic Process Research and Development; vol. 16; nb. 1; (2012); p.

166 - 171, View in Reaxys 22 of 51

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 75 scopy) [MHz] Location

supporting information

Kuriyama, Wataru; Matsumoto, Takaji; Ogata, Osamu; Ino, Yasunori; Aoki, Kunimori; Tanaka, Shigeru; Ishida, Kenya; Kobayashi, Tohru; Sayo, Noboru; Saito, Takao; Organic Process Research and Development; vol. 16; nb. 1; (2012); p.

166 - 171, View in Reaxys 23 of 51

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

chloroform-d1

Original Text (NMR Spectroscopy)

1H

Location

Page/Page column 10

Comment (NMR Spectroscopy)

Signals given

NMR (CDCl3): 3.63 (t), 1.65 (m).

Patent; Dong, Guangbin; Grubbs, Robert H.; Teo, Peili; Wickens, Zach K.; US2012/172634; (2012); (A1) English, View in Reaxys 24 of 51

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

chloroform-d1

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Frequency (NMR Spectro- 400 scopy) [MHz] Location

supporting information

Commandeur, Malgorzata; Commandeur, Claude; Cossy, Janine; Organic Letters; vol. 13; nb. 22; (2011); p. 6018 - 6021, View in Reaxys 25 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Frequency (NMR Spectro- 400 scopy) [MHz] Tachibana, Yuya; Masuda, Takashi; Funabashi, Masahiro; Kunioka, Masao; Biomacromolecules; vol. 11; nb. 10; (2010); p.

2760 - 2765, View in Reaxys 26 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 200 scopy) [MHz] Jagdale, Arun R.; Paraskar, Abhimanyu S.; Sudalai, Arumugam; Synthesis; nb. 4; (2009); p. 660 - 664, View in Reaxys 27 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 50 scopy) [MHz] Jagdale, Arun R.; Paraskar, Abhimanyu S.; Sudalai, Arumugam; Synthesis; nb. 4; (2009); p. 660 - 664, View in Reaxys 28 of 51

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 300 scopy) [MHz] Brunel, Jean Michel; Tetrahedron; vol. 63; nb. 18; (2007); p. 3899 - 3906, View in Reaxys 29 of 51

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 75 scopy) [MHz] Brunel, Jean Michel; Tetrahedron; vol. 63; nb. 18; (2007); p. 3899 - 3906, View in Reaxys

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Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 75 scopy) [MHz] Brunel, Jean Michel; Tetrahedron; vol. 63; nb. 18; (2007); p. 3899 - 3906, View in Reaxys 31 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 300 scopy) [MHz] Brunel, Jean Michel; Tetrahedron; vol. 63; nb. 18; (2007); p. 3899 - 3906, View in Reaxys 32 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 400.13 scopy) [MHz] Abraham, Raymond J.; Byrne, Jonathan J.; Griffiths, Lee; Perez, Manuel; Magnetic Resonance in Chemistry; vol. 44; nb.

5; (2006); p. 491 - 509, View in Reaxys 33 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Frequency (NMR Spectro- 400.13 scopy) [MHz] Abraham, Raymond J.; Byrne, Jonathan J.; Griffiths, Lee; Perez, Manuel; Magnetic Resonance in Chemistry; vol. 44; nb.

5; (2006); p. 491 - 509, View in Reaxys 34 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 400 scopy) [MHz] Abraham, Raymond J.; Byrne, Jonathan J.; Griffiths, Lee; Koniotou, Rodothea; Magnetic Resonance in Chemistry; vol.

43; nb. 8; (2005); p. 611 - 624, View in Reaxys 35 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

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Solvents (NMR Spectroscopy)

D2O

Frequency (NMR Spectro- 400 scopy) [MHz] Abraham, Raymond J.; Byrne, Jonathan J.; Griffiths, Lee; Koniotou, Rodothea; Magnetic Resonance in Chemistry; vol.

43; nb. 8; (2005); p. 611 - 624, View in Reaxys 36 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Frequency (NMR Spectro- 400 scopy) [MHz] Abraham, Raymond J.; Byrne, Jonathan J.; Griffiths, Lee; Koniotou, Rodothea; Magnetic Resonance in Chemistry; vol.

43; nb. 8; (2005); p. 611 - 624, View in Reaxys 37 of 51

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

D2O

Nagai, Yasuharu; Matubayasi, Nobuyuki; Nakahara, Masaru; Bulletin of the Chemical Society of Japan; vol. 77; nb. 4; (2004); p. 691 - 697, View in Reaxys 38 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

17O

Solvents (NMR Spectroscopy)

neat (no solvent)

Temperature (NMR Spectroscopy) [°C]

24.9

Alam, Todd M.; Magnetic Resonance in Chemistry; vol. 36; nb. 2; (1998); p. 132 - 134, View in Reaxys 39 of 51

Description (NMR Spectroscopy)

Linewidth of NMR absorption

Alam, Todd M.; Magnetic Resonance in Chemistry; vol. 36; nb. 2; (1998); p. 132 - 134, View in Reaxys 40 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

CDCl3

Hudlicky; Luna; Barbieri; Kwart; Journal of the American Chemical Society; vol. 110; nb. 14; (1988); p. 4735 - 4741, View in Reaxys; Brown, Herbert C.; Narasimhan, S.; Choi, Yong Moon; Journal of Organic Chemistry; vol. 47; nb. 24; (1982); p. 4702 - 4708, View in Reaxys; Ravikumar; Chandrasekaran, Srinivasan; Tetrahedron; vol. 53; nb. 8; (1997); p.

2973 - 2978, View in Reaxys 41 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Kingsbury, Celia L.; Smith, Robin A. J.; Journal of Organic Chemistry; vol. 62; nb. 22; (1997); p. 7637 - 7643, View in Reaxys

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42 of 51

Description (NMR Spectroscopy)

Spin-lattice relaxation time (T1)

Ambrosone, Luigi; Andini, Salvatore; Castronuovo, Giuseppina; Elia, Vittorio; Guarino, Gennaro; Journal of the Chemical Society, Faraday Transactions; vol. 87; nb. 18; (1991); p. 2989 - 2993, View in Reaxys 43 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Grindley, T. Bruce; Cote, Christian J.P.; Wickramage, Chandra; Carbohydrate Research; vol. 140; nb. 2; (1985); p. 215 238, View in Reaxys 44 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Temperature (NMR Spectroscopy) [°C]

24

Reuben,J.; Journal of the American Chemical Society; vol. 107; (1985); p. 1756, View in Reaxys 45 of 51

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Denney, Donald B.; Denney, Dorothy Z.; Gigantino, John J.; Journal of Organic Chemistry; vol. 49; nb. 15; (1984); p. 2831 2832, View in Reaxys; Pritzkow, Wilhelm; Voerckel, Volkmar; Journal fuer Praktische Chemie (Leipzig); vol. 326; nb. 4; (1984); p. 572 - 578, View in Reaxys 46 of 51

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

1H

Boutevin, B.; Dongala, E. B.; Pietrasanta, Y.; Journal of Fluorine Chemistry; vol. 17; (1981); p. 113 - 126, View in Reaxys 47 of 51

Description (NMR Spectroscopy)

NMR

Konno,C.; Hikino,H.; Tetrahedron; vol. 32; (1976); p. 325 - 331, View in Reaxys; Hudrlik,P.F. et al.; Journal of Organic Chemistry; vol. 40; (1975); p. 1116 - 1120, View in Reaxys; Leader; Analytical Chemistry; vol. 42; (1970); p. 16,19, View in Reaxys; Ritchie et al.; Canadian Journal of Chemistry; vol. 53; (1975); p. 1424,1429, View in Reaxys; Yonezawa et al.; Bulletin of the Chemical Society of Japan; vol. 38; (1965); p. 1431, View in Reaxys; Voelter et al.; Angewandte Chemie; vol.

82; (1970); p. 812, View in Reaxys; Freeman et al.; Journal of Magnetic Resonance (1969-1992); vol. 35; (1979); p. 447, View in Reaxys; Weser et al.; European Journal of Biochemistry; vol. 50; (1974); p. 91,93,94, View in Reaxys; Saito et al.; Bulletin of the Chemical Society of Japan; vol. 39; (1966); p. 989, View in Reaxys; Horvath; Kuszmann; Organic Mass Spectrometry; vol. 12; (1977); p. 45,47, 48, 49, View in Reaxys 48 of 51

Description (NMR Spectroscopy)

Chemical shifts

Comment (NMR Spectroscopy)

Chem. Verschiebg.

Casu,B. et al.; Tetrahedron; vol. 22; (1966); p. 3061 - 3083, View in Reaxys 49 of 51

Description (NMR Spectroscopy)

Spin-spin coupling constants

Casu,B. et al.; Tetrahedron; vol. 22; (1966); p. 3061 - 3083, View in Reaxys 50 of 51

Description (NMR Spectroscopy)

Spectrum

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Musher,J.I.; Corey,E.J.; Tetrahedron; vol. 18; (1962); p. 791 - 809, View in Reaxys 51 of 51

Description (NMR Spectroscopy)

Chemical shifts

Comment (NMR Spectroscopy)

in Gemischen mit W.

Mavel; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 250; (1960); p. 1477,1478, View in Reaxys IR Spectroscopy (37) 1 of 37

Description (IR Spectroscopy)

Bands; Spectrum

Yue, Xiaoqing; Zhao, Long; Ma, Liang; Shi, Huihu; Yang, Tingyu; Zhang, Jianbin; Journal of Molecular Liquids; vol. 263; (2018); p. 40 - 48, View in Reaxys 2 of 37

Description (IR Spectroscopy)

Bands; Spectrum

Solvent (IR Spectroscopy)

acetonitrile

Location

supporting information

Kim, Ye-Jin; Rakshit, Surajit; Jin, Geun Young; Ghosh, Prasun; Lee, Young Min; Park, Won-Woo; Kim, Yung Sam; Kwon, Oh-Hoon; Chemistry - A European Journal; vol. 23; nb. 68; (2017); p. 17179 - 17185, View in Reaxys 3 of 37

Description (IR Spectroscopy)

ATR (attenuated total reflectance); Spectrum

Aydin, Ahmet Alper; Ilberg, Vladimir; Carbohydrate Polymers; vol. 136; (2016); p. 441 - 448, View in Reaxys 4 of 37

Description (IR Spectroscopy)

Spectrum

Kuhn,L.P. et al.; Journal of the American Chemical Society; vol. 86; (1964); p. 650 - 658, View in Reaxys; Foster,A.B. et al.; Tetrahedron; vol. 16; (1961); p. 177 - 184, View in Reaxys; Morantz; Waite; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 27; (1971); p. 1133,1134,1135, View in Reaxys; Fishman; Chen; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 25; (1969); p. 1231, View in Reaxys; Sha, Feng; Zhao, Tianxiang; Guo, Bo; Ju, Xinxin; Li, Lihua; Zhang, Jianbin; Journal of Molecular Liquids; vol. 208; (2015); p. 373 - 379; Art.No: 4831, View in Reaxys 5 of 37

Description (IR Spectroscopy)

Bands; Spectrum

Solvent (IR Spectroscopy)

potassium bromide

Melanova, Klara; Benes, Ludvik; Trchova, Miroslava; Svoboda, Jan; Zima, Vitezslav; Journal of Solid State Chemistry; vol. 202; (2013); p. 93 - 98, View in Reaxys; Wang, Ziqing; Yang, Xiangui; Liu, Shaoying; Hu, Jing; Zhang, Hua; Wang, Gongying; RSC Advances; vol. 5; nb. 106; (2015); p. 87311 - 87319, View in Reaxys 6 of 37

Description (IR Spectroscopy)

Intensity of IR bands; Bands

Solvent (IR Spectroscopy)

neat liquid

Location

supporting information

Santra, Surojit; Guin, Joyram; European Journal of Organic Chemistry; vol. 2015; nb. 33; (2015); p. 7253 - 7257, View in Reaxys 7 of 37

Description (IR Spectroscopy)

ATR (attenuated total reflectance); Bands

Worzakowska, Marta; Journal of Thermal Analysis and Calorimetry; vol. 116; nb. 2; (2014); p. 727 - 736, View in Reaxys 8 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

potassium bromide

Scognamillo, Sergio; Gioffredi, Emilia; Piccinini, Massimo; Lazzari, Massimo; Alzari, Valeria; Nuvoli, Daniele; Sanna, Roberta; Piga, Daniele; Malucelli, Giulio; Mariani, Alberto; Polymer (United Kingdom); vol. 53; nb. 19; (2012); p. 4019 4024, View in Reaxys 9 of 37

Description (IR Spectroscopy)

Bands

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Malyschew; Mursin; Malyschew, Mursin, Landsberg-Gedenkschr.; (1959); p. 134 - 138, View in Reaxys; Kuhn; Bowman; Spectrochimica Acta; vol. 17; (1961); p. 650,660, View in Reaxys; Luk'janenko et al.; Voprosy Stereokhimii; vol. 6; (1977); p.

97, View in Reaxys; Tachibana, Yuya; Masuda, Takashi; Funabashi, Masahiro; Kunioka, Masao; Biomacromolecules; vol.

11; nb. 10; (2010); p. 2760 - 2765, View in Reaxys 10 of 37

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

chloroform

Jagdale, Arun R.; Paraskar, Abhimanyu S.; Sudalai, Arumugam; Synthesis; nb. 4; (2009); p. 660 - 664, View in Reaxys 11 of 37

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

ambient temperature

Jesus, A.J. Lopes; Rosado, Mario T.S.; Leitao, M. Luisa P.; Redinha, Jose S.; Journal of Physical Chemistry A; vol. 107; nb.

19; (2003); p. 3891 - 3897, View in Reaxys 12 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent)

Jesus, A.J. Lopes; Rosado, Mario T.S.; Leitao, M. Luisa P.; Redinha, Jose S.; Journal of Physical Chemistry A; vol. 107; nb.

19; (2003); p. 3891 - 3897, View in Reaxys 13 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

CCl4

Comment (IR Spectroscopy)

ambient temperature. Object(s) of Study: concentration dependence

Jesus, A.J. Lopes; Rosado, Mario T.S.; Leitao, M. Luisa P.; Redinha, Jose S.; Journal of Physical Chemistry A; vol. 107; nb.

19; (2003); p. 3891 - 3897, View in Reaxys 14 of 37

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CH2Cl2

Temperature (IR Spectroscopy) [°C]

32

Plass, Monika; Kolbe, Alfred; Zeitschrift fur Physikalische Chemie; vol. 217; nb. 9; (2003); p. 1085 - 1096, View in Reaxys 15 of 37

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CH2Cl2

Temperature (IR Spectroscopy) [°C]

12

Plass, Monika; Kolbe, Alfred; Zeitschrift fur Physikalische Chemie; vol. 217; nb. 9; (2003); p. 1085 - 1096, View in Reaxys 16 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

CH2Cl2

Kolbe, Alfred; Plass, Monika; Zeitschrift fur Physikalische Chemie; vol. 217; nb. 11; (2003); p. 1411 - 1426, View in Reaxys 17 of 37

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CH2Cl2

Kolbe, Alfred; Plass, Monika; Zeitschrift fur Physikalische Chemie; vol. 217; nb. 11; (2003); p. 1411 - 1426, View in Reaxys 18 of 37

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CH2Cl2

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Comment (IR Spectroscopy)

in the presence of organic compounds

Kolbe, Alfred; Plass, Monika; Zeitschrift fur Physikalische Chemie; vol. 217; nb. 11; (2003); p. 1411 - 1426, View in Reaxys 19 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

CH2Cl2

Comment (IR Spectroscopy)

in the presence of inorganic compounds

Kolbe, Alfred; Plass, Monika; Zeitschrift fur Physikalische Chemie; vol. 217; nb. 11; (2003); p. 1411 - 1426, View in Reaxys 20 of 37

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

3360 cm**(-1)

Ravikumar; Chandrasekaran, Srinivasan; Tetrahedron; vol. 53; nb. 8; (1997); p. 2973 - 2978, View in Reaxys 21 of 37

Description (IR Spectroscopy)

Bands

Comment (IR Spectroscopy)

3520 cm**(-1)

Takumi, Hideaki; Koga, Minekazu; Toda, Fumio; Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals; vol. 277; (1996); p. 79 - 86, View in Reaxys 22 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

CCl4

Comment (IR Spectroscopy)

3330 - 900 cm**(-1)

Shagidullin, Rif. R.; Chernova, A. V.; Shagidullin, R. R.; Russian Chemical Bulletin; vol. 42; nb. 9; (1993); p. 1505 - 1510; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 9; (1993); p. 1572 - 1577, View in Reaxys 23 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

solid

Comment (IR Spectroscopy)

3330 - 900 cm**(-1)

Shagidullin, Rif. R.; Chernova, A. V.; Shagidullin, R. R.; Russian Chemical Bulletin; vol. 42; nb. 9; (1993); p. 1505 - 1510; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 9; (1993); p. 1572 - 1577, View in Reaxys 24 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

3330 - 900 cm**(-1)

Shagidullin, Rif. R.; Chernova, A. V.; Shagidullin, R. R.; Russian Chemical Bulletin; vol. 42; nb. 9; (1993); p. 1505 - 1510; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 9; (1993); p. 1572 - 1577, View in Reaxys 25 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

CCl4

Temperature (IR Spectroscopy) [°C]

5 - 45

Comment (IR Spectroscopy)

3900 - 3100 cm**(-1)

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Kleeberg, H.; Luck, W. A. P.; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 270; nb. 3; (1989); p. 613 - 625, View in Reaxys; Kleeberg, H.; Klein, D.; Luck, W. A. P.; Journal of Physical Chemistry; vol. 91; nb. 12; (1987); p. 3200 3203, View in Reaxys 26 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

CCl4

Temperature (IR Spectroscopy) [°C]

25

Comment (IR Spectroscopy)

3900 - 3100 cm**(-1)

Kleeberg, H.; Luck, W. A. P.; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 270; nb. 3; (1989); p. 613 - 625, View in Reaxys; Kleeberg, H.; Journal of Molecular Structure; vol. 177; (1988); p. 157 - 172, View in Reaxys 27 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

various solvent(s)

Temperature (IR Spectroscopy) [°C]

25

Comment (IR Spectroscopy)

3900 - 3100 cm**(-1)

Kleeberg, H.; Luck, W. A. P.; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 270; nb. 3; (1989); p. 613 - 625, View in Reaxys; Kleeberg, H.; Journal of Molecular Structure; vol. 177; (1988); p. 157 - 172, View in Reaxys 28 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

nitromethane

Temperature (IR Spectroscopy) [°C]

25

Comment (IR Spectroscopy)

3900 - 3100 cm**(-1)

Kleeberg, H.; Journal of Molecular Structure; vol. 177; (1988); p. 157 - 172, View in Reaxys 29 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

acetonitrile

Temperature (IR Spectroscopy) [°C]

25

Comment (IR Spectroscopy)

3900 - 3100 cm**(-1)

Kleeberg, H.; Journal of Molecular Structure; vol. 177; (1988); p. 157 - 172, View in Reaxys 30 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

diethyl ether

Temperature (IR Spectroscopy) [°C]

25

Comment (IR Spectroscopy)

3900 - 3100 cm**(-1)

Kleeberg, H.; Journal of Molecular Structure; vol. 177; (1988); p. 157 - 172, View in Reaxys 31 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

tetrahydrofuran

Temperature (IR Spectroscopy) [°C]

25

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Comment (IR Spectroscopy)

3900 - 3100 cm**(-1)

Kleeberg, H.; Journal of Molecular Structure; vol. 177; (1988); p. 157 - 172, View in Reaxys 32 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

dimethylsulfoxide

Temperature (IR Spectroscopy) [°C]

25

Comment (IR Spectroscopy)

3900 - 3100 cm**(-1)

Kleeberg, H.; Journal of Molecular Structure; vol. 177; (1988); p. 157 - 172, View in Reaxys 33 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

pyridine

Temperature (IR Spectroscopy) [°C]

25

Comment (IR Spectroscopy)

3900 - 3100 cm**(-1)

Kleeberg, H.; Journal of Molecular Structure; vol. 177; (1988); p. 157 - 172, View in Reaxys 34 of 37

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

3500 - 1060 cm**(-1)

Hudlicky; Luna; Barbieri; Kwart; Journal of the American Chemical Society; vol. 110; nb. 14; (1988); p. 4735 - 4741, View in Reaxys 35 of 37

Description (IR Spectroscopy)

IR

Kuhn,L.P. et al.; Journal of the American Chemical Society; vol. 86; (1964); p. 650 - 658, View in Reaxys; Casu,B. et al.; Tetrahedron; vol. 22; (1966); p. 3061 - 3083, View in Reaxys; Ditter; Luck; Berichte der Bunsen-Gesellschaft; vol. 73; (1969); p. 526,532, View in Reaxys; Busfield et al.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 29; (1973); p. 1259,1260, 1262, View in Reaxys; Chen et al.; Journal of the Chinese Chemical Society (Taipei, Taiwan); vol. 16; (1969); p. II-184,188,189, View in Reaxys; Chen; Huang; Journal of the Chinese Chemical Society (Taipei, Taiwan); vol. 16; (1968); p. II-46,49,50,51-54, View in Reaxys; Saito et al.; Bulletin of the Chemical Society of Japan; vol. 39; (1966); p. 989, View in Reaxys 36 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

OH-Valenzschwindigsfrequenzen.

Malyschew; Mursin; Izvestiya Akademii Nauk SSSR, Seriya Fizicheskaya; Issled.eksp.teor.Fiz.; vol. 22; (1959); p.

134,138,146,147; Chem.Abstr.; (1961); p. 24231, View in Reaxys; Kuhn; Journal of the American Chemical Society; vol. 74; (1952); p. 2492,2495,297; Journal of the American Chemical Society; vol. 80; (1958); p. 5950,5951, View in Reaxys 37 of 37

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

CCl4

Wall; Claussen; Journal of the American Chemical Society; vol. 61; (1939); p. 2680, View in Reaxys Mass Spectrometry (17) Description (Mass Location Spectrometry)

Comment (Mass Spectrometry)

gas chromatography mass spectrom-

Copyright © 2018 Elsevier Life Sciences IP Limited except certain content provided by third parties. Reaxys is a trademark of Elsevier Life Sciences IP Limited.

References pnik, Ivan; irka, Lubo; Mjek, Pavel; Chemical Papers; vol. 69; nb. 3; (2015); p. 395 - 401, View in Reaxys

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etry (GCMS); spectrum fragmentation pattern; spectrum

Page/Page column 2

Patent; Genomatica, Inc.; Burk, Mark J.; Burgard, Anthony P.; Osterhout, Robin E.; Sun, Jun; US9175297; (2015); (B2) English, View in Reaxys

gas chromatograsupporting informaphy mass spectrom- tion etry (GCMS); electron impact (EI); spectrum

Li, Wei; Xie, Jian-Hua; Yuan, Ming-Lei; Zhou, Qi-Lin; Green Chemistry; vol. 16; nb. 9; (2014); p. 4081 - 4085, View in Reaxys

Spectrum

Stobrawe, Annika; Makarczyk, Piotr; Maillet, Cline; Muller, Jean-Luc; Leitner, Walter; Angewandte Chemie - International Edition; vol. 47; nb.

35; (2008); p. 6674 - 6677, View in Reaxys

supporting information

spectrum

spectrum

Lloyd, J.R.; Agosta, William C.; Field, F. H.; Journal of Organic Chemistry; vol. 45; nb. 17; (1980); p. 3483 - 3492, View in Reaxys; Chen, QingFeng; Stone, John A.; Journal of Physical Chemistry; vol. 99; nb. 5; (1995); p. 1442 - 1453, View in Reaxys; Brunel, Jean Michel; Tetrahedron; vol. 63; nb. 18; (2007); p. 3899 - 3906, View in Reaxys collisional activation

Bouchoux; Choret; Flammang; Journal of Physical Chemistry A; vol. 101; nb. 23; (1997); p. 4271 - 4282, View in Reaxys

spectrum; chemical ionization (CI)

Vairamani, M; Kumar, K W Siva; Rao, G K Viswanadha; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 31; nb. 1; (1992); p. 9 - 14, View in Reaxys

fragmentation pattern; spectrum

Brumley, William C.; Andrzejewski, Denis; Sphon, James A.; Organic Mass Spectrometry; vol. 23; (1988); p. 204 - 212, View in Reaxys

chemical ionization (CI)

collisional activation

negative ion spectroscopy

Brumley, William C.; Andrzejewski, Denis; Sphon, James A.; Organic Mass Spectrometry; vol. 23; (1988); p. 204 - 212, View in Reaxys Lloyd, J.R.; Agosta, William C.; Field, F. H.; Journal of Organic Chemistry; vol. 45; nb. 17; (1980); p. 3483 - 3492, View in Reaxys; Brumley, William C.; Andrzejewski, Denis; Sphon, James A.; Organic Mass Spectrometry; vol. 23; (1988); p. 204 - 212, View in Reaxys

collisional activation; MIKE (mass ion kinetic energy)

Guenat, Christian; Houriet, Raymond; Stahl, Daniel; Winkler, Johann; Helvetica Chimica Acta; vol. 68; (1985); p. 1647 - 1657, View in Reaxys

fragmentation pattern; spectrum

collisional activation

Terlouw, Johan K.; Heerma, Wigger; Burgers, Peter C.; Canadian Journal of Chemistry; vol. 62; (1984); p. 289 - 292, View in Reaxys

spectrum

collisional activation; metastable ions

Holmes, John L.; Mommers, Alexander A.; Szulejko, Jan E.; Terlouw, Johan K.; Journal of the Chemical Society, Chemical Communications; nb.

3; (1984); p. 165 - 167, View in Reaxys

appearance potentials

Holmes, John L.; Mommers, Alexander A.; Szulejko, Jan E.; Terlouw, Johan K.; Journal of the Chemical Society, Chemical Communications; nb.

3; (1984); p. 165 - 167, View in Reaxys

chemical ionization (CI)

Lloyd, J.R.; Agosta, William C.; Field, F. H.; Journal of Organic Chemistry; vol. 45; nb. 17; (1980); p. 3483 - 3492, View in Reaxys McLafferty; Van de Sande; Journal of the American Chemical Society; vol. 97; (1975); p. 4613, View in Reaxys; Tsuchiya; Adachi; International Journal of Mass Spectrometry and Ion Physics; vol. 20; (1976); p. 7,13, View in Reaxys; Tsuchiya; Chemistry Letters; (1977); p. 1367,1369, 1370, View in Reaxys; Shannon; McLafferty; Journal of the American Chemical Society; vol. 88; (1966); p. 5021, View in Reaxys; Wul'fson et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); (1967); p. 2304; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1967); p. 2415, View in Reaxys; Blanc et al.; Organic Mass Spectrometry; vol. 13; (1978); p. 135,136, 138, 139, 140, View in Reaxys; Schwarz et al.; Organic Mass Spectrometry; vol. 11; (1976); p. 219, View in Reaxys; Winkler; McLafferty; Tetrahedron; vol.

30; (1974); p. 2971,2972, View in Reaxys; Gruetzmacher; Winkler; Organic Mass Spectrometry; vol. 1; (1968); p. 295,301,313, View in Reaxys; Horvath; Kuszmann; Organic Mass Spectrometry; vol. 12; (1977); p.

45,47, 48, 49, View in Reaxys

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ion-cyclotron resonance

Kim,J.K. et al.; Journal of the American Chemical Society; vol. 95; (1973); p. 2184 - 2193, View in Reaxys

ESR Spectroscopy (1) 1 of 1

Description (ESR Spectro- ESR scopy) Gilbert et al.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1972); p. 794, View in Reaxys

Rotational Spectroscopy (1) Description (Rota- References tional Spectroscopy) Microwave spectrum

Evangelisti, Luca; Gou, Qian; Spada, Lorenzo; Feng, Gang; Caminati, Walther; Chemical Physics Letters; vol.

556; (2013); p. 55 - 58, View in Reaxys

Raman Spectroscopy (3) Description (Ram- Comment (Raman an Spectroscopy) Spectroscopy)

References

Spectrum

neat (no solvent)

Shagidullin, Rif. R.; Chernova, A. V.; Shagidullin, R. R.; Russian Chemical Bulletin; vol. 42; nb. 9; (1993); p. 1505 - 1510; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 9; (1993); p. 1572 - 1577, View in Reaxys

Spectrum

neat (no solvent, solid phase)

Shagidullin, Rif. R.; Chernova, A. V.; Shagidullin, R. R.; Russian Chemical Bulletin; vol. 42; nb. 9; (1993); p. 1505 - 1510; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 9; (1993); p. 1572 - 1577, View in Reaxys

Spectrum

Clerc et al.; Chemical Physics Letters; vol. 26; (1974); p. 167,171, View in Reaxys

Luminescence Spectroscopy (1) Description (Lumi- References nescence Spectroscopy) Radioluminescence

Gusakovskaya et al.; High Energy Chemistry; vol. 4; (1970); p. 387,388; ; p. 434, View in Reaxys

Biodegradation (2) 1 of 2

Type (Biodegradation)

aerobic

Inoculum

mixed microbial population from compost

Temperature (Biodegradation) [°C]

22

Method, Remarks (Biodegradation)

title comp. incubated with mixed inoculum from compost for 22 days in synthetic MSV/0.5 percent pepton medium; Watenbuettel compost plant, Germany; infrared measurements; after lag-phase of some days, title comp. was rapidly mineralized to CO2; graphic given

Witt; Einig; Yamamoto; Kleeberg; Deckwer; Mueller; Chemosphere; vol. 44; nb. 2; (2001); p. 289 - 299, View in Reaxys 2 of 2

Type (Biodegradation)

anaerobic

Inoculum

wastewater

Concentration (Biodegradation)

Ca. 15 mmol/l

Degradation Rate (Biodegradation) [%]

100 percent

Exposure Period (Biodegradation)

48 h

Temperature (Biodegradation) [°C]

35

Method, Remarks (Biodegradation)

municipal wastewater digester; serum bottle technique; incubation under methanogenic conditions in the dark; analysis by GC-MS

Degradation Product (Biodegradation)

acetate; butyrate

Veltman; Schoenberg; Switzenbaum; Biodegradation; vol. 9; nb. 2; (1998); p. 113 - 118, View in Reaxys Oxygen Demand (1) 1 of 1

Type (Oxygen Demand)

COD

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Related to

Substance

Oxygen Demand [mg O2/l]

500 mg/l

Method, Remarks (Oxygen Demand)

serum bottle test; incubation in the dark at 35 deg C

Veltman; Schoenberg; Switzenbaum; Biodegradation; vol. 9; nb. 2; (1998); p. 113 - 118, View in Reaxys Use (133) Laboratory Use and Use Pattern Handling

Location

Hygroscopic

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Cosmetics/dental/ toilet

Page/Page column 4

Patent; RECKITT and COLMAN (OVERSEAS) LIMITED; Reid, Sylvie; Tindal, Anne; Valcasara, Philippe; US2014/143960; (2014); (A1) English, View in Reaxys

depilatory cream composition

Page/Page column 4

Patent; RECKITT and COLMAN (OVERSEAS) LIMITED; Reid, Sylvie; Tindal, Anne; Valcasara, Philippe; US2014/143960; (2014); (A1) English, View in Reaxys

starting material for Page/Page column preparation of gly- 4 col carboxylate component of conditioning complex

Patent; RECKITT and COLMAN (OVERSEAS) LIMITED; Reid, Sylvie; Tindal, Anne; Valcasara, Philippe; US2014/143960; (2014); (A1) English, View in Reaxys

Volatile

Labruyere, Celine; Talon, Olivier; Berezina, Nathalie; Khousakoun, Eric; Jerome, Christine; RSC Advances; vol. 4; nb. 73; (2014); p. 38643 38648, View in Reaxys Bifunctional mono- Page/Page column mer for preparation title page; 1; 19-21 of pigment for cosmetic composition

Patent; CHANEL PARFUMS BEAUTE; RADIANT COLOR N.V.; ISMAEL, Rami; DE CLERMONT-GALLERANDE, Helene; DARMON, Marie-Rose; WO2011/15906; (2011); (A1) English, View in Reaxys

Bifunctional mono- Page/Page column mer for preparation title page; 1; 19-21 of pigment for coating composition

Patent; CHANEL PARFUMS BEAUTE; RADIANT COLOR N.V.; ISMAEL, Rami; DE CLERMONT-GALLERANDE, Helene; DARMON, Marie-Rose; WO2011/15906; (2011); (A1) English, View in Reaxys

Bifunctional mono- Page/Page column mer for preparation title page; 1; 19-21 of pigment for cosmetic composition for making-up the skin

Patent; CHANEL PARFUMS BEAUTE; RADIANT COLOR N.V.; ISMAEL, Rami; DE CLERMONT-GALLERANDE, Helene; DARMON, Marie-Rose; WO2011/15906; (2011); (A1) English, View in Reaxys

Bifunctional mono- Page/Page column mer for preparation title page; 1; 19-21 of pigment for cosmetic composition for making-up the cheeks

Patent; CHANEL PARFUMS BEAUTE; RADIANT COLOR N.V.; ISMAEL, Rami; DE CLERMONT-GALLERANDE, Helene; DARMON, Marie-Rose; WO2011/15906; (2011); (A1) English, View in Reaxys

Bifunctional mono- Page/Page column mer for preparation title page; 1; 19-21 of pigment for cosmetic composition for making-up the eyelids

Patent; CHANEL PARFUMS BEAUTE; RADIANT COLOR N.V.; ISMAEL, Rami; DE CLERMONT-GALLERANDE, Helene; DARMON, Marie-Rose; WO2011/15906; (2011); (A1) English, View in Reaxys

Bifunctional mono- Page/Page column mer for preparation title page; 1; 19-21 of pigment for cosmetic composition for making-up the lips

Patent; CHANEL PARFUMS BEAUTE; RADIANT COLOR N.V.; ISMAEL, Rami; DE CLERMONT-GALLERANDE, Helene; DARMON, Marie-Rose; WO2011/15906; (2011); (A1) English, View in Reaxys

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Bifunctional mono- Page/Page column mer for preparation title page; 1; 19-21 of cosmetic pigments

Patent; CHANEL PARFUMS BEAUTE; RADIANT COLOR N.V.; ISMAEL, Rami; DE CLERMONT-GALLERANDE, Helene; DARMON, Marie-Rose; WO2011/15906; (2011); (A1) English, View in Reaxys

Bifunctional mono- Page/Page column mer for preparation title page; 1; 19-21 of fluorescent cosmetic colored pigments

Patent; CHANEL PARFUMS BEAUTE; RADIANT COLOR N.V.; ISMAEL, Rami; DE CLERMONT-GALLERANDE, Helene; DARMON, Marie-Rose; WO2011/15906; (2011); (A1) English, View in Reaxys

Bifunctional mono- Page/Page column mer for preparation title page; 1; 19-21 of pigment for solvent resistant cosmetic compositions

Patent; CHANEL PARFUMS BEAUTE; RADIANT COLOR N.V.; ISMAEL, Rami; DE CLERMONT-GALLERANDE, Helene; DARMON, Marie-Rose; WO2011/15906; (2011); (A1) English, View in Reaxys

Bifunctional mono- Page/Page column mer for preparation title page; 1; 19-21 of pigment for nail lacquers formulation

Patent; CHANEL PARFUMS BEAUTE; RADIANT COLOR N.V.; ISMAEL, Rami; DE CLERMONT-GALLERANDE, Helene; DARMON, Marie-Rose; WO2011/15906; (2011); (A1) English, View in Reaxys

preparation of basic polyalcoholate catalysts

Patent; UNIVERSITY OF SASKATCHEWAN; WO2009/67809; (2009); (A1) English, View in Reaxys

Reagent

Patent; UNIVERSITY OF SASKATCHEWAN; WO2009/67809; (2009); (A1) English, View in Reaxys

modifier suitable for making polyethylene terephthalate resin

Patent; WELLMAN, INC.; WO2008/8836; (2008); (A2) English, View in Reaxys

method for removing an aldehyde from acetic acid

Patent; Lyondell Chemical Technology, L.P.; US7345197; (2008); (B1) English, View in Reaxys

Polyol for removing aldehyde impurity from methyl acetate supply

Patent; Lyondell Chemical Technology, L.P.; US7390919; (2008); (B1) English, View in Reaxys

starting material for producing bioactive and biocompatible polyurethane-butanediol-glycosaminoglycan copolymers

Patent; WISCONSIN ALUMNI RESEARCH FOUNDATION; WO2008/134468; (2008); (A1) English, View in Reaxys

gelation promoter in a gel composition

Patent; WARNER CHILCOTT COMPANY INC.; US2007/4694; (2007); (A1) English, View in Reaxys

Making up the skin

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

Making up the lips

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

Improves gloss

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

Improves the colour staying power

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

Making up the human face

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

Making up the body

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

Lipstick

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

Lip balm

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

Lip pencil

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

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Liquid foundation

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

Solid foundation

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

Cast

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

Concealer product

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

Skin colouring product

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

Eye makeup product

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

Eyeliner

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

Mascara

Patent; L'OREAL; US2007/134181; (2007); (A1) English, View in Reaxys

solvent in waterbased composition for topical application to human lips comprises one or more blood circulation enhancing substances

Patent; Bottiglieri, Pierre; Keefe, Candace R.; Carmichael, Jason W.; US2007/243150; (2007); (A1) English, View in Reaxys

Solvent

Patent; BASF Aktiengesellschaft; US2007/270597; (2007); (A1) English, View in Reaxys

Intermediate for the preparation of polymers

Patent; BASF Aktiengesellschaft; US2007/270597; (2007); (A1) English, View in Reaxys

Dispersing agent/ wetting agent for pharmaceutical compositions

Page/Page column 11

Patent; AKZO NOBEL N.V.; WO2007/23143; (2007); (A1) English, View in Reaxys

Monomer/condensant

Patent; BASF AKTIENGESELLSCHAFT; US2006/167321; (2006); (A1) English, View in Reaxys

ophthalmic pharmaceutical composition

Patent; PHARMALIGHT INC.; WO2006/82588; (2006); (A2) English, View in Reaxys

penetration enhancer

Patent; PHARMALIGHT INC.; WO2006/82588; (2006); (A2) English, View in Reaxys

polymer forming monomer

Patent; COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH.; US2006/251688; (2006); (A1) English, View in Reaxys

binding gammaaminobutyric acid (GABA) receptor or augmenting the actions of GABA and its cogeners

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Sleeping disorders

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Insomnia

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Drug abuse

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Alcohol and opiate withdrawal

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Reduced level of growth hormone

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Anxiety

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

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Analgesia

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Acquired resistance to GABAnergic agents(ARG)

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Effects in certain neurological disorders

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Parkinson's disease

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Depression

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Obesity

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Certain endocrine disturbances

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Tissue protection following hypoxia/ anoxia such as in stroke or myocardial infarction

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Increased level of intracranial pressure

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Hyperactivity

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Attention deficit hyperactivity disorder

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Decreased concentration

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Mania

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Hypomania

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Bipolar disorder

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Cyclothymia

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Sleepiness during waking hours

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Narcolepsy major

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Narcolepsy minor

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Restless legs syndrome

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Periodic limb movement disorder

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Subclinical restless legs syndrome

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Subclinical periodic limb movement disorder

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

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Obstructive sleep apnea

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Symptoms associated with acquired resistance to GABAminergic agents

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Fatigue(the feeling of tiredness)

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Unrestful sleep

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Difficulty dealing with stress

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Arthralgias (joint pain)

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Myalgias (muscle aching)

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Tense muscles

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Difficulty concentrating(brain fog)

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Impaired memory

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Sleepiness

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Tender trigger points

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Periodic limb movement disorder of sleep

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Interstitial cystitis

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Irritable bowel syndrome

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Rheumatoid arthritis

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Lupus erythematosus

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Multiple sclerosis

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Treating ARG or related conditions

Patent; JOHNSON, Joseph; WO2006/124609; (2006); (A2) English, View in Reaxys

Moisturizing agent

Patent; Mary Kay Inc.; US2006/216254; (2006); (A1) English, View in Reaxys

humectant for comosition applying a cleanser to the skin

Patent; RAMIREZ, Jose, E.; HATTENDORF, Judy; MCNAMARA, Austin; GOLDNER, Stephen; WO2006/60515; (2006); (A2) English, View in Reaxys

humectant for comosition applying a toner to the cleansed skin

Patent; RAMIREZ, Jose, E.; HATTENDORF, Judy; MCNAMARA, Austin; GOLDNER, Stephen; WO2006/60515; (2006); (A2) English, View in Reaxys

shaving

Patent; Yerby, Patrick T.; Westman, Mort; US2006/34793; (2006); (A1) English, View in Reaxys

body washing

Patent; Yerby, Patrick T.; Westman, Mort; US2006/34793; (2006); (A1) English, View in Reaxys

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tanning

Patent; Yerby, Patrick T.; Westman, Mort; US2006/34793; (2006); (A1) English, View in Reaxys

skin conditioning

Patent; Yerby, Patrick T.; Westman, Mort; US2006/34793; (2006); (A1) English, View in Reaxys

hair conditioning

Patent; Yerby, Patrick T.; Westman, Mort; US2006/34793; (2006); (A1) English, View in Reaxys

hair rinsing

Patent; Yerby, Patrick T.; Westman, Mort; US2006/34793; (2006); (A1) English, View in Reaxys

skin rinsing

Patent; Yerby, Patrick T.; Westman, Mort; US2006/34793; (2006); (A1) English, View in Reaxys

polyol for moistening of the skin

Patent; HUNTSMAN PETROCHEMICAL CORPORATION; WO2006/14831; (2006); (A1) English, View in Reaxys

component of deodorant or antiperspirant sticks

Patent; Banowski, Bernhard; Wadle, Armin; Class, Marcus; US2006/29624; (2006); (A1) English, View in Reaxys

Solvent oral care kit for detection of demineralized lesions

Patent; The Procter and Gamble Company; US2005/58602; (2005); (A1) English, View in Reaxys

for providing increased longevity and strength of odour of fragrance

Patent; The Procter and Gamble Company; US6893647; (2005); (B1) English, View in Reaxys

composite capsules

Patent; Centre National De La Recherche Scientifique (C.N.R.S.); US2005/106232; (2005); (A1) English, View in Reaxys

the therapeutic, biomedical, pharmaceutical, veterinary, paramedical fields

Patent; Centre National De La Recherche Scientifique (C.N.R.S.); US2005/106232; (2005); (A1) English, View in Reaxys

phytosanitary

Patent; Centre National De La Recherche Scientifique (C.N.R.S.); US2005/106232; (2005); (A1) English, View in Reaxys

emollient

Patent; Gonzalez, Anthony D.; Pechko, Andrew H.; Anderson, Glen T.; Kalafsky, Robert E.; Lowenborg, Michael V.; US2005/136014; (2005); (A1) English, View in Reaxys

humectant

Patent; Gonzalez, Anthony D.; Pechko, Andrew H.; Anderson, Glen T.; Kalafsky, Robert E.; Lowenborg, Michael V.; US2005/136014; (2005); (A1) English, View in Reaxys

an active release agent for the antiperspirant aerosol composition

Patent; Smith, Scott Edward; US2005/169850; (2005); (A1) English, View in Reaxys; Patent; Smith, Scott Edward; US2005/169851; (2005); (A1) English, View in Reaxys

water-miscible organic solvent for makeup composition

Patent; Hadasch, Anke; Delacour, Marie-Laure; Mori, Isabelle; US2005/175562; (2005); (A1) English, View in Reaxys

humectant and/or co-solvent for conditioning composition

Patent; The Procter and Gamble Company; US2005/175568; (2005); (A1) English, View in Reaxys

Polyol for pharmaceutical composition for treating build-up of dead cells, dryness, darkness, damage, or oiliness of human skin

Patent; Lonza Ltd.; US2005/163740; (2005); (A1) English, View in Reaxys

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Starting material for the production of polyesters or copolyesters

Patent; Parker, Kenny Randolph; Lin, Robert; Gibson, Philip Edward; US2005/159617; (2005); (A1) English, View in Reaxys

Starting material

Patent; BASF AKTIENGESELLSCHAFT; WO2005/110969; (2005); (A1) German, View in Reaxys

production of pyrrolidine

Patent; BASF AKTIENGESELLSCHAFT; WO2005/110969; (2005); (A1) German, View in Reaxys

Starting material for synthesis of polether-polyols

Patent; BAYER MATERIALSCIENCE AG; WO2005/97737; (2005); (A1) German, View in Reaxys

Solvent for purification of triethylenediamine (TEDA)

Patent; BASF AKTIENGESELLSCHAFT; WO2005/111043; (2005); (A1) German, View in Reaxys

skin penetration enhancer of cream composition

Patent; Glenmark Pharmaceuticals Limited; US2005/249757; (2005); (A1) English, View in Reaxys

skin penetration enhancer of gel composition

Patent; Glenmark Pharmaceuticals Limited; US2005/250804; (2005); (A1) English, View in Reaxys

skin penetration enhancer of ointment composition

Patent; Glenmark Pharmaceuticals Limited; US2005/250805; (2005); (A1) English, View in Reaxys

short-chain polyol component of soapfree self-foaming shave gel composition

Patent; THE GILLETTE COMPANY; WO2005/94764; (2005); (A1) English, View in Reaxys

transdermal drug delivery devices

Patent; Venkatraman, Subramanian S.; Stein, Thomas M.; Snider, James; Hamlin, Richard D.; US2005/48104; (2005); (A1) English, View in Reaxys

water soluble glycol for antiperspirant or deodorant composition

Patent; COLGATE-PALMOLIVE COMPANY; WO2005/25523; (2005); (A2) English, View in Reaxys

prepare biodegradable polyurethanes for bone tissue scaffold

Patent; Beckman, Eric J.; Hollinger, Jeffrey O.; Doll, Bruce A.; Guelcher, Scott A.; Zhang, Jianying; US2005/13793; (2005); (A1) English, View in Reaxys

wetting agent

Patent; Samsung Electronics Co., Ltd.; US2005/54841; (2005); (A1) English, View in Reaxys

as hydrogen donor in the catalytic reduction of aldehydes and ketones Quantum Chemical Calculations (1) Calculated Proper- Method (Quantum ties Chemical Calculations)

Marcec, Radovan; Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie; vol. 39; nb. 12; (1984); p. 1823 - 1824, View in Reaxys

References

Rotational conElectron correlation Evangelisti, Luca; Gou, Qian; Spada, Lorenzo; Feng, Gang; Caminati, Walther; Chemical stants; Dipole mo- and CI calcn.

Physics Letters; vol. 556; (2013); p. 55 - 58, View in Reaxys ment, dipole moment derivative; Atom distances, angles; Total energy Medchem (78) 1 of 78

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

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Substance RN

1633445View in Reaxys

Substance Name

25373

Qualitative Results

no antifungal activity against Aspergillus niger, Trichoderma viride, Myrothecium verrucaria, Candida albicans, Trichophyton mentagrophytes, Mucor mucedo, 100-10000 Îźg/ml

Measurement Parameter

qualitative

Gershon; Shanks; Journal of Pharmaceutical Sciences; vol. 69; nb. 4; (1980); p. 381 - 384, View in Reaxys 2 of 78

Substance Effect

Hypertensive

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : control: saline mean arterial pressure (MAP) recorded in conscious rats using radio telemetry system for 20 min before and for 3 h after title comp. administration

Biological Species/NCBI ID

rat

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

0.180000 mg/g

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

title comp. at 0.56 g/kg elicited prolonged increase in MAP (from 67 to 474 min); at >=0.32 g/kg title comp. induced sedation that coincided with sustained hypertension

Measurement Parameter

qualitative

Gerak, Lisa R.; Hicks, Alissa R.; Winsauer, Peter J.; Varner, Kurt J.; European Journal of Pharmacology; vol. 506; nb. 1; (2004); p. 75 - 82, View in Reaxys 3 of 78

Substance Effect

Hypertensive

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : saline control; further investigation of 0.56 g/kg title comp. with ethanol (2.0 g/kg, i.p., 10 min prior to title comp. administration) mean arterial pressure (MAP) recorded in conscious rats using radio telemetry system for 20 min before and for 3 h after title comp. administration

Biological Species/NCBI ID

rat

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

0.180000 mg/g

Substance Route of Adm.

intravenous administration

Qualitative Results

title comp. at 0.56 g/kg elicited prolonged increase in MAP (from 55 to 109 min), at dose >=0.32 g/kg produced sedation that coincided sustained hypertension; ethanol attenuated pressor response

Measurement Parameter

qualitative

Gerak, Lisa R.; Hicks, Alissa R.; Winsauer, Peter J.; Varner, Kurt J.; European Journal of Pharmacology; vol. 506; nb. 1; (2004); p. 75 - 82, View in Reaxys 4 of 78

Substance Effect

Behavioural Symptoms

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Target : Long-Evans hooded ratBioassay : further investigation in the presence of ethanol (0.25-1.5 g/kg, i.p., administered 15 min after title comp. and immediately before sessions); saline control controlled behavior of rats under fixed-ratio 20 schedule of food presentation assayed; title comp. administered immediately or 90 min before experimental sessions; response rate determined for 210 min

Substance RN

1633445View in Reaxys

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Substance Name

25373

Substance Dose

0.180000 mg/g

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

title comp. dose-dependently decreased response rate at 0.32-0.56 g/kg, response observed after 30 min and lasted to 2 and 3.5 h, resp.; combination with ethanol attenuated rate-decreasing effect of title comp.; title comp. did not alter ethanol potency

Measurement Parameter

qualitative

Gerak, Lisa R.; Hicks, Alissa R.; Winsauer, Peter J.; Varner, Kurt J.; European Journal of Pharmacology; vol. 506; nb. 1; (2004); p. 75 - 82, View in Reaxys 5 of 78

Substance Effect

Chronotropic : Positive

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : control: saline heart rate (HR) recorded in conscious rats using a radio telemetry system for 20 min before and for 3 h after title comp. administration

Biological Species/NCBI ID

rat

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

0.180000 mg/g

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

title comp. at 0.56 g/kg elicited prolonged increase in HR (from 43 to 402 min)

Measurement Parameter

qualitative

Gerak, Lisa R.; Hicks, Alissa R.; Winsauer, Peter J.; Varner, Kurt J.; European Journal of Pharmacology; vol. 506; nb. 1; (2004); p. 75 - 82, View in Reaxys 6 of 78

Substance Effect

Chronotropic : Positive

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : saline control; further investigation of 0.56 g/kg title comp. with ethanol (2.0 g/kg, i.p., 10 min prior to title comp. administration) heart rate (HR) recorded in conscious rats using radio telemetry system for 20 min before and for 3 h after title comp. administration

Biological Species/NCBI ID

rat

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

0.180000 mg/g

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

title comp. at 0.56 g/kg elicited prolonged increase in HR (from 31 to 132 min); ethanol attenuated tachycardic response

Measurement Parameter

qualitative

Gerak, Lisa R.; Hicks, Alissa R.; Winsauer, Peter J.; Varner, Kurt J.; European Journal of Pharmacology; vol. 506; nb. 1; (2004); p. 75 - 82, View in Reaxys 7 of 78

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Spontaneous activity

Biological Species/NCBI ID

C57BL 6 mouse

Substance RN

1633445View in Reaxys

Substance Name

1,4-BDL

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Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

ED50

Unit

mg/kg

Measurement Object

loss of righting reflex

Quantitative value

839.4

Carter, Lawrence P.; Wu, Huifang; Chen, Weibin; Matthews, Marilyn M.; Mehta, Ashok K.; Hernandez, R. Jason; Thomson, Jennifer A.; Ticku, Maharaj K.; Coop, Andrew; Koek, Wouter; France, Charles P.; Journal of Pharmacology and Experimental Therapeutics; vol. 313; nb. 3; (2005); p. 1314 - 1323, View in Reaxys 8 of 78

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Spontaneous activity

Biological Species/NCBI ID

C57BL 6 mouse

Substance RN

1633445View in Reaxys

Substance Name

1,4-BDL

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

ED50

Unit

mg/kg

Quantitative value

209.3

Carter, Lawrence P.; Wu, Huifang; Chen, Weibin; Matthews, Marilyn M.; Mehta, Ashok K.; Hernandez, R. Jason; Thomson, Jennifer A.; Ticku, Maharaj K.; Coop, Andrew; Koek, Wouter; France, Charles P.; Journal of Pharmacology and Experimental Therapeutics; vol. 313; nb. 3; (2005); p. 1314 - 1323, View in Reaxys 9 of 78

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Spontaneous activity

Biological Species/NCBI ID

C57BL 6 mouse

Substance RN

1633445View in Reaxys

Substance Name

1,4-BDL

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

ED50

Unit

mg/kg

Quantitative value

197.7

Carter, Lawrence P.; Wu, Huifang; Chen, Weibin; Matthews, Marilyn M.; Mehta, Ashok K.; Hernandez, R. Jason; Thomson, Jennifer A.; Ticku, Maharaj K.; Coop, Andrew; Koek, Wouter; France, Charles P.; Journal of Pharmacology and Experimental Therapeutics; vol. 313; nb. 3; (2005); p. 1314 - 1323, View in Reaxys 10 of 78

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Spontaneous activity

Biological Species/NCBI ID

C57BL 6 mouse

Substance RN

1633445View in Reaxys

Substance Name

1,4-BDL

Substance Dose

1780 mg/kg

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Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

percentage

Unit

%

Measurement Object

Lethality

Quantitative value

25

Carter, Lawrence P.; Wu, Huifang; Chen, Weibin; Matthews, Marilyn M.; Mehta, Ashok K.; Hernandez, R. Jason; Thomson, Jennifer A.; Ticku, Maharaj K.; Coop, Andrew; Koek, Wouter; France, Charles P.; Journal of Pharmacology and Experimental Therapeutics; vol. 313; nb. 3; (2005); p. 1314 - 1323, View in Reaxys 11 of 78

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Spontaneous activity

Biological Species/NCBI ID

C57BL 6 mouse

Substance RN

1633445View in Reaxys

Substance Name

1,4-BDL

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

ED50

Unit

mg/kg

Quantitative value

177.6

Carter, Lawrence P.; Wu, Huifang; Chen, Weibin; Matthews, Marilyn M.; Mehta, Ashok K.; Hernandez, R. Jason; Thomson, Jennifer A.; Ticku, Maharaj K.; Coop, Andrew; Koek, Wouter; France, Charles P.; Journal of Pharmacology and Experimental Therapeutics; vol. 313; nb. 3; (2005); p. 1314 - 1323, View in Reaxys 12 of 78

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : haemolysis of erythrocytes induced by cumene peroxide; inhibition ofTarget : erythrocytes of wistar (Charles River) ratBioassay : Test 4A: Activity of some substances used as precursors of B in the products according to the invention in inhibiting the haemolysis of erythrocytes induced by cumene peroxide. Test 4a is performed according to the method described by R. Maffei Facino, M. Carini G. Aldini, M.T. Calloni, Drugs Exptl.

Substance RN

1633445View in Reaxys

Substance Name

25373

Qualitative Results

17.4 % inhibition

Measurement Parameter

qualitative

Patent; NICOX S.A.; WO2001/12584; (2001); (A2), View in Reaxys 13 of 78

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |enzyme; examination of Target : D-arabitol dehydrogenaseBioassay : one unit of enzyme act. defined as amount of enzyme catalyzed oxidation of 1 Îźmol of substrate per min,which calculated by millimolar extinction coefficient of DCIP test sp.from Gluconobacter suboxydans IFO 3257 purified from membrane fraction; pH 5.0,25 deg C; reaction mixture contained enzyme,buffer,phenazinemethosulfate,2,6-dichlorophenol indophenol(DCIP)

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

10 mM

Qualitative Results

enzyme activity toward title comp. = 0 U/mg

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Measurement Parameter

qualitative

Adachi; Fujii; Ghaly; Toyama; Shinagawa; Matsushita; Bioscience, biotechnology, and biochemistry; vol. 65; nb. 12; (2001); p. 2755 - 2762, View in Reaxys 14 of 78

15 of 78

16 of 78

Target Name

enzyme

Target Synonyms

enzyme

Target, Subunit, Species

enzyme

Target Mutant/Chimera Details

enzyme:Wild

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |enzyme; examination of Bioassay : one unit of enzyme act. defined as enzyme catalyzing 1 μmol of NADH formation in alcohol oxidation; specific act. - enzyme act./mg of protein; results expressed as percent of relative act. toward cyclopentanol (100 percent) test sp. from cytosolic fr. of Gluconobacter frateurii CHM 9; enzyme act. measured by recording rate increase of NADH at 340 nm at 25 deg C, pH 9.5

Substance RN

1633445View in Reaxys

Substance Name

25373

Qualitative Results

enzyme catalyzed oxidation of title comp. with relative act. = 0 percent

Measurement Parameter

qualitative

Target Name

enzyme

Target Synonyms

enzyme

Target, Subunit, Species

enzyme

Target Mutant/Chimera Details

enzyme:Wild

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |enzyme; examination of Bioassay : one unit of enzyme act. defined as enzyme catalyzing 1 μmol of substrate oxidation per min; specific act. defined as enzyme act./mg of protein; enzyme act. expressed as percent of act. toward cyclopentanol (100 percent) test sp. from Gluconobacter frateurii CHM 9; enzyme used as purified from membrane and containing in membrane fraction of organism; enzyme act. measured with potassium ferricyanide or phenazine methosulfate + 2,6-dichlorophenol indophenol at pH 5.0

Substance RN

1633445View in Reaxys

Substance Name

25373

Qualitative Results

enzyme act. toward title comp. = 41 percent (for membrane fr.) and 0 percent for purified enzyme

Measurement Parameter

qualitative

Substance Effect

Genotoxic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Target : Chinese hamster lung cellsBioassay : chromosome aberrations (CA) were scored cells were cultured with Eagle's medium; 2E4 cells were plated on 60 mm plate and cultured for 72 h at 37 deg C; treated with title comp. with or without metabolic activation for 6 h and without metabolic activation for 24 h and 48 h

Substance RN

1633445View in Reaxys

Substance Name

25373

Qualitative Results

CA-negative at doses manifesting 50 percent or less than 50 percent cytotoxicity

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Measurement Parameter

qualitative

Kusakabe, Hirokazu; Yamakage, Kohji; Wakuri, Shinobu; Sasaki, Kiyoshi; Nakagawa, Yuzuki; Watanabe, Mika; Hayashi, Makoto; Sofuni, Toshio; Ono, Hiroshi; Tanaka, Noriho; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 517; nb. 1-2; (2002); p. 187 - 198, View in Reaxys 17 of 78

Substance Effect

Behavioural Symptoms

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : 1.0 mg/kg dose of diazepam occasioned 93.0 percent of drug-associated lever responding substitutional assay; rats trained to discriminate diazepam vs saline and to press appropriate lever; the level of pressing on drug-associated lever determined 15 min after administration of title comp. during a 15-min test session

Biological Species/NCBI ID

rat

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

10 mg/kg

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

title comp. occasioned 10.1 percent of drug-appropriate responding at maximum

Measurement Parameter

qualitative

Carter; Unzeitig; Wu; Chen; Coop; Koek; France, Charles P.; Journal of Pharmacology and Experimental Therapeutics; vol.

309; nb. 2; (2004); p. 540 - 547, View in Reaxys 18 of 78

Substance Effect

Behavioural Symptoms

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : 3.2 mg/kg dose of baclofen occasioned 81.2 percent of drug-associated lever responding substitutional assay; rats trained to discriminate baclofen vs saline and to press appropriate lever; the level of pressing on drug-associated lever determined 15 min after administration of title comp. during a 15-min test session

Biological Species/NCBI ID

rat

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

10 mg/kg

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

title comp. dose-dependently increased responding on drug-associated lever (89.7 percent maximum for 320 mg/kg dose)

Measurement Parameter

qualitative

Carter; Unzeitig; Wu; Chen; Coop; Koek; France, Charles P.; Journal of Pharmacology and Experimental Therapeutics; vol.

309; nb. 2; (2004); p. 540 - 547, View in Reaxys 19 of 78

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Conditioned food presentation

Biological Species/NCBI ID

Sprague Dawley rat

Substance RN

1633445View in Reaxys

Substance Name

1,4-BDL

Substance Dose

56 mg/kg

Substance Route of Adm.

intraperitoneal administration

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Substance Dosing Regimen

Single

Measurement Parameter

ED50

Unit

mg/kg

Quantitative value

147.1

Carter, Lawrence P.; Wu, Huifang; Chen, Weibin; Cruz, Christopher M.; Lamb; Koek, Wouter; Coop, Andy; France, Charles P.; Journal of Pharmacology and Experimental Therapeutics; vol. 308; nb. 1; (2004); p. 182 - 188, View in Reaxys 20 of 78

Substance Effect

Behavioural Symptoms

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : GHB: Îą-hydroxybutyrate food-reinforced operant paradigm, fixed ratio 10 for 5 min; response rate measured; effect of (+/-)-baclofen, GHB and title comp. (i.p., different doses, 15 min before each paradigm) estimated before, during and 1, 2 or 3 w after title comp. treatment

Biological Species/NCBI ID

rat

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

chronic title comp. treatment decreased sensitivity to response rate reduction by (+/-)-baclofen and GHB; it returned to control values resp. 2 and 3 weeks after title comp. discontinuation; response rate reduction by title comp. was not changed

Measurement Parameter

qualitative

Eckermann, Kary A.; Koek, Wouter; France, Charles P.; European Journal of Pharmacology; vol. 484; nb. 2-3; (2004); p.

259 - 262, View in Reaxys 21 of 78

Substance Effect

Behavioural Symptoms

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : DR: drug responding; RR: response rate discriminative stimulus effect of title comp. pretreatment for up to 240 min before the session was evaluated in monkeys who were experienced to discriminate between 5.6 or 10 mg/kg intragastrical pentobarbital and saline; percentDR and percentRR determined

Biological Species/NCBI ID

rhesus monkey

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

30 mg/kg

Substance Route of Adm.

intragastric administration

Qualitative Results

title comp. at 300 mg/kg decreased RR to at least 50 percent of control in three of four monkeys when adminstered 120 min before the session, ED50 for decreasing RR was 233 mg/kg (diagrams)

Measurement Parameter

qualitative

McMahon, Lance R.; Coop, Andrew; France, Charles P.; Winger, Gail; Woolverton, William L.; European Journal of Pharmacology; vol. 466; nb. 1-2; (2003); p. 113 - 120, View in Reaxys 22 of 78

Substance Effect

Behavioural Symptoms

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : reinforcing effect of title comp. was evaluated in a substitution self-administration procedure in monkeys who were experienced with i.v. self-adminstration of 0.1 mg/kg sodium methohexital

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Biological Species/NCBI ID

rhesus monkey

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

0.100000 mg/kg

Substance Route of Adm.

intravenous administration

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

McMahon, Lance R.; Coop, Andrew; France, Charles P.; Winger, Gail; Woolverton, William L.; European Journal of Pharmacology; vol. 466; nb. 1-2; (2003); p. 113 - 120, View in Reaxys 23 of 78

Substance Effect

Behavioural Symptoms

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : DR: drug responding; RR: response rate discriminative stimulus effect of title comp. administered at the beginning and 120 min prior to 120 min session was evaluated in monkeys who were experienced to discriminate between 0.32 mg/kg s.c. midazolam HCl and saline; percentDR and percentRR determined

Biological Species/NCBI ID

rhesus monkey

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

100 mg/kg

Substance Route of Adm.

subcutaneous administration

Qualitative Results

title comp. produced dose- and time-related decrease in responding that became evident at 150 min and was maximal at 240 min, in addition at 100 mg/kg slightly increased RR between 150 and 240 min, at 240 min ED50 for RR was 305 mg/kg (diagrams)

Measurement Parameter

qualitative

McMahon, Lance R.; Coop, Andrew; France, Charles P.; Winger, Gail; Woolverton, William L.; European Journal of Pharmacology; vol. 466; nb. 1-2; (2003); p. 113 - 120, View in Reaxys 24 of 78

Substance Effect

Behavioural Symptoms

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : monkeys drank a solution containing 5.6 mg/kg diazepam 3 h prior to daily sessions; DR: drug responding; RR: response rate discriminative stimulus effect of title comp. adminstered at the beginning and 120 min prior to 120 min session was evaluated in monkeys who were experienced to discriminate between 0.1 or 0.32 mg/kg s.c. flumazenil and saline; percentDR and percentRR determined

Biological Species/NCBI ID

rhesus monkey

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

32 mg/kg

Substance Route of Adm.

subcutaneous administration

Qualitative Results

title comp. produced dose-related decrease in responding from 150 to 240 min after administration, at 240 min ED50 for decreasing RR was 126 mg/kg (diagrams)

Measurement Parameter

qualitative

McMahon, Lance R.; Coop, Andrew; France, Charles P.; Winger, Gail; Woolverton, William L.; European Journal of Pharmacology; vol. 466; nb. 1-2; (2003); p. 113 - 120, View in Reaxys

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25 of 78

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Bioassay Details

Effect : binding; inhibition ofBioassay : nonspecific binding estimated in presence of 1 mmol/l αhydroxybutyric acid (GHB) radioligand binding assay; 60 nmol/l <3H>GHB used as radioligand; 50 mmol/l KH2PO4 buffer, pH 6.5, 4 deg C; incubated for 30 min; filtered; filter-bound radioactivity counted by liquid scintillation counter

Biological Species/NCBI ID

rat

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

1.00000E-09 M

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

Carai, Mauro A.M.; Colombo, Giancarlo; Reali, Roberta; Serra, Salvatore; Mocci, Ignazia; Castelli; Cignarella, Giorgio; Gessa, Gian Luigi; European Journal of Pharmacology; vol. 441; nb. 3; (2002); p. 157 - 163, View in Reaxys 26 of 78

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Bioassay Details

Effect : binding; inhibition ofBioassay : nonspecific binding estimated in presence of 100 μmol/l R(-)-baclofen radioligand binding assay; 20 nmol/l <3H>baclofen used as radioligand; 50 mmol/l Tris-HCL buffer, pH 7.4, 20-22 deg C; incubated for 20 min; filtered; filter-bound radioactivity counted in liquid scintillation counter

Biological Species/NCBI ID

rat

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

1.00000E-09 M

Measurement Parameter

qualitative

Qualitative value

NA

Measurement pX

1

Carai, Mauro A.M.; Colombo, Giancarlo; Reali, Roberta; Serra, Salvatore; Mocci, Ignazia; Castelli; Cignarella, Giorgio; Gessa, Gian Luigi; European Journal of Pharmacology; vol. 441; nb. 3; (2002); p. 157 - 163, View in Reaxys 27 of 78

Substance Effect

Anxiolytic

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Target : DBA/2JIco mouseBioassay : α-hydroxybutyric acid (GHB) used as reference comp.; further investigations with 4-methylpyrazole, ethanol, disulfiram, NCS-382, SCH 50911, CGP 46381 rats received title comp.; time to loss of righting reflex and its regain measured; onset of loss of righting reflex and sleep time (time between loss and recovery of righting reflex) after title comp. dosing used as measures of sedative effect

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

200 mg/kg

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

title comp. similarly to GHB produced dose-dependent sedative effect; effect was completely antagonised by 4-methylpyrazole and ethanol, partially blocked by disulfiram, completely suppressed and prevented by SCH 50911 and CGP 46381, resp.

Measurement Parameter

qualitative

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Carai, Mauro A.M.; Colombo, Giancarlo; Reali, Roberta; Serra, Salvatore; Mocci, Ignazia; Castelli; Cignarella, Giorgio; Gessa, Gian Luigi; European Journal of Pharmacology; vol. 441; nb. 3; (2002); p. 157 - 163, View in Reaxys 28 of 78

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

1633445View in Reaxys

Substance Name

25373

Qualitative Results

relative oxidation activity 0.3percent (glycerol 100percent) in test on substrate specificity of glycerol dehydrogenase from Cellulomonas sp. NT3060 at 50 mM

Measurement Parameter

qualitative

Yamada, Hideaki; Nagao, Akihiko; Nishise, Hiroshi; Tani, Yoshiki; Agricultural and Biological Chemistry; vol. 46; nb. 9; (1982); p. 2333 - 2340, View in Reaxys 29 of 78

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : metamorphosis, inhibition ofTarget : Hydractinia echinata, larvaeBioassay : MRC50 - concentration reduced the metamorphosis induction by 50 percent larvae exposed to seawater containing 20 mM CsCl

Substance RN

1633445View in Reaxys

Substance Name

25373

Qualitative Results

log MRC50 1.22 not given

Measurement Parameter

qualitative

Chicu, Sergiu Adrian; Berking, Stefan; Chemosphere; vol. 34; nb. 8; (1997); p. 1851 - 1866, View in Reaxys 30 of 78

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : metamorphosis, inhibition ofTarget : Hydractinia echinata, larvaeBioassay : MRC50 - concentration reduced the metamorphosis induction by 50 percent larvae exposed to seawater containing 2.5 mM Mg(2+)

Substance RN

1633445View in Reaxys

Substance Name

25373

Qualitative Results

log MRC50 1.14 not given

Measurement Parameter

qualitative

Chicu, Sergiu Adrian; Berking, Stefan; Chemosphere; vol. 34; nb. 8; (1997); p. 1851 - 1866, View in Reaxys 31 of 78

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |biotransformation Bioassay : GHB: Îą-hydroxybutyric acid title comp. injected to flies; GHB synthesis measured using gas chromatography/mass spectrometry assay

Biological Species/NCBI ID

Drosophila

Substance RN

1633445View in Reaxys

Substance Name

25373

Qualitative Results

title comp. 5 min after injection already induced GHB synthesis and time-dependently increased its level within 2 h

Measurement Parameter

qualitative

Satta, Rosalba; Dimitrijevic, Nikola; Manev, Hari; European Journal of Pharmacology; vol. 473; nb. 2-3; (2003); p. 149 152, View in Reaxys 32 of 78

Substance Effect

Behavioural Symptoms

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

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Bioassay Details

Bioassay : reference comp.: Îą-hydroxybutyric acid (600 ng/fly prolonged recovery time from anesthesia and produced longer-lasting decrease in extent of locomotor activity) title comp. injected to flies; locomotor activity measured

Biological Species/NCBI ID

Drosophila

Substance RN

1633445View in Reaxys

Substance Name

25373

Qualitative Results

title comp. did not produce significant effect on time of recovery from anesthesia and extent of locomotor activity within 10 min period after injection, but later decreased locomotor activity (1 h period) before its recover again to end of 2 h

Measurement Parameter

qualitative

Satta, Rosalba; Dimitrijevic, Nikola; Manev, Hari; European Journal of Pharmacology; vol. 473; nb. 2-3; (2003); p. 149 152, View in Reaxys 33 of 78

34 of 78

Target Name

Ionotropic glutamate NMDA receptor (NR1A) [rat];+Glutamate receptor ionotropic, NMDA 2B [rat]

Target Synonyms

ionotropic glutamate nmda receptor (nr1a) + glun2b; glutamate; glutamate receptor ionotropic, nmda 2b; grin2b; n-methyl d-aspartate receptor subtype 2b; nmdar2b; nr2b

Target Uniprot ID

q00960

Target, Subunit, Species

Glutamate receptor ionotropic, NMDA 2B [rat]; Ionotropic glutamate NMDA receptor (NR1A) [rat]

Target Mutant/Chimera Details

Ionotropic glutamate NMDA receptor (NR1A) [rat]:Wild + Glutamate receptor ionotropic, NMDA 2B [rat]:Wild

Target Species (Bioactivity)

rat

Target Transfection

Transfected

Substance Action on Target

Antagonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Electrophysiology

Cells/Cell Lines

CHO cell line

Substance RN

1633445View in Reaxys

Substance Name

n4

Measurement Parameter

IC50

Unit

mM

Quantitative value

286

Deviation

16.1000

Concomitants: Compound RN

1724431; 8308895

Concomitants: Compound name

NMDA; Glycine

Concomitants: Compound role

AGO; AGO

Target Name

Ionotropic glutamate NMDA receptor (NR1A) [rat];+Glutamate receptor ionotropic, NMDA 2B [rat]

Target Synonyms

ionotropic glutamate nmda receptor (nr1a) + glun2b; glutamate; glutamate receptor ionotropic, nmda 2b; grin2b; n-methyl d-aspartate receptor subtype 2b; nmdar2b; nr2b

Target Uniprot ID

q00960

Target, Subunit, Species

Glutamate receptor ionotropic, NMDA 2B [rat]; Ionotropic glutamate NMDA receptor (NR1A) [rat]

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35 of 78

Target Mutant/Chimera Details

Ionotropic glutamate NMDA receptor (NR1A) [rat]:Wild + Glutamate receptor ionotropic, NMDA 2B [rat]:Wild

Target Species (Bioactivity)

rat

Target Transfection

Transfected

Substance Action on Target

Antagonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Electrophysiology

Cells/Cell Lines

CHO cell line

Substance RN

1633445View in Reaxys

Substance Name

n4

Measurement Parameter

nH (Hill coefficient)

Quantitative value

1.006

Deviation

0.0787000

Concomitants: Compound RN

1724431; 8308895

Concomitants: Compound name

NMDA; Glycine

Concomitants: Compound role

AGO; AGO

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

1633445View in Reaxys

Substance Name

25373

Qualitative Results

inhibition of growth of the photosynthetic bacterium, Rhodopseudomonas acidophila M402 under aerobic-dark and anaerobic-light culture conditions.

Measurement Parameter

qualitative

Yamanaka, Kei; Agricultural and Biological Chemistry; vol. 55; nb. 3; (1991); p. 837 - 844, View in Reaxys 36 of 78

Target Name

Beta-lactoglobulin [bovine]

Target Synonyms

beta-lactoglobulin; beta-lg; lgb

Target Uniprot ID

p02754

Target, Subunit, Species

Beta-lactoglobulin [bovine]

Target Mutant/Chimera Details

Beta-lactoglobulin [bovine]:Wild

Target Species (Bioactivity)

bovine

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : protein denaturationBioassay : ΔGD = ΔG0 - m<alcohol>; ΔGD, free energy change of denaturation; ΔG0, ΔGD in the absence of alcohol; m, measure of dependence of ΔGD on alcohol concentration protein solution in deionized water mixed with aq. HCl (pH 1.8) containing various concentrations of alcohol; circular dichroism at 222 nm measured

Substance RN

1633445View in Reaxys

Substance Name

25373

Qualitative Results

m value of 3.73 kJ/mol/M (6.52 kJ/mol/M in the presence of 20 percent ethanol)

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Measurement Parameter

qualitative

Hirota-Nakaoka, Nami; Goto, Yuji; Bioorganic and Medicinal Chemistry; vol. 7; nb. 1; (1999); p. 67 - 73, View in Reaxys 37 of 78

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Effect : |biotransformation Bioassay : GHB: gamma-hydroxybutyric acid; Cmax: maximal conc.; Tmax: time to reach Cmax; AUC: area under curve; further invest. with alcohol dehydrogenase inhibitor 4-methylpyrazol (4MP) rats administered to title comp.; samples from striatal microdialysis probe collected every 20 min for up to 280 min; GHB detected by HPLC assay with ultraviolet detector set at 215 nm

Biological Species/NCBI ID

rat

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

250 mg/kg

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

GHB observed during first 20 min after title comp. treatment with Tmax 80-100 min, Cmax 10.6, 25.3, 48.1 μg/ml and AUC0-120 min 734, 1949, 3834 μg/ml x min at 250, 500, 750 mg/kg title comp., resp.; title comp. conversion prevented

Measurement Parameter

qualitative

Kapadia, Roopa; Boehlke, Mark; Maher, Timothy J.; Life Sciences; vol. 80; nb. 11; (2007); p. 1046 - 1050, View in Reaxys 38 of 78

Substance Effect

Hypnogenic

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : further invest. with alcohol dehydrogenase inhibitor 4-methylpyrazol (4MP) rats administered to title comp.; duration of sleep time recorded

Biological Species/NCBI ID

rat

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

250 mg/kg

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

title comp. treatment dose-dependently induced sleep behaviour with 200 min sleep time at highest conc.; effect abolished by 4MP (figure)

Measurement Parameter

qualitative

Kapadia, Roopa; Boehlke, Mark; Maher, Timothy J.; Life Sciences; vol. 80; nb. 11; (2007); p. 1046 - 1050, View in Reaxys 39 of 78

Substance Effect

Behavioural Symptoms

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : pretreatment time up to 90 min; reference comp.: GHB; GHB: α-hydroxybutyric acid rats were trained to discriminate 200 mg/kg GHB from saline; two-lever food-reinforced procedure under fixed ratio schedule; stimulation by title comp. of GHB lever responding was tested 10 min after injection

Biological Species/NCBI ID

rat

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

10 mg/kg

Substance Route of Adm.

intraperitoneal administration

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Measurement Parameter

EC50

Unit

mg/kg

Quantitative value

114

Carter, Lawrence P.; Flores, Lauren R.; Wu, Huifang; Chen, Weibin; Unzeitig, Andrew W.; Coop, Andy; France, Charles P.; Journal of Pharmacology and Experimental Therapeutics; vol. 305; nb. 2; (2003); p. 668 - 674, View in Reaxys 40 of 78

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

1633445View in Reaxys

Substance Name

25373

Qualitative Results

effect on cell growth and glycerol dehydrogenase formation by Geotrichum candidum F-541

Measurement Parameter

qualitative

Itoh, Nobuya; Umeda, Koichi; Agricultural and Biological Chemistry; vol. 46; nb. 8; (1982); p. 2159 - 2162, View in Reaxys 41 of 78

Substance Effect

Behavioural Symptoms

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : session lasted for 15 min or during 100 pellet deliveries; 200 mg/kg GHB discrimination was from saline or 3.2 mg/kg baclofen and from saline or baclofen or 1 mg/kg diazepam; GHB: Îąhydroxybutyrate rats were trained to discriminate GHB from other injections; 2 levers; for training food delivered after 10 responses on injection-appropriate lever; 15 min before test session title comp. injected; percent GHB-appropriate responses and response rate obtained

Biological Species/NCBI ID

rat

Substance RN

1633445View in Reaxys

Substance Name

25373

Substance Dose

10 mg/kg

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

title comp. dose-dependently increased GHB-appropriate responding and decreased response rate similarly in saline/baclofen and saline/baclofen/diazepam discrimination

Measurement Parameter

qualitative

Koek, Wouter; Carter, Lawrence P.; Lamb; Chen, Weibin; Wu, Huifang; Coop, Andrew; France, Charles P.; Journal of Pharmacology and Experimental Therapeutics; vol. 314; nb. 1; (2005); p. 170 - 179, View in Reaxys 42 of 78

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human Asian; human Hispanic; Human Caucasian

Population State

Healthy; Healthy; Healthy

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

25 mg/kg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

minute

Quantitative value

26.3

Deviation

12

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Metabolite RN

1720582

Metabolite name

gamma-hydroxybutyrate

Thai; Dyer; Jacob; Haller; Clinical Pharmacology and Therapeutics; vol. 81; nb. 2; (2007); p. 178 - 184, View in Reaxys 43 of 78

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human Asian; human Hispanic; Human Caucasian

Population State

Healthy; Healthy; Healthy

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

25 mg/kg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

mg/L

Quantitative value

3.84

Deviation

4.57000

Metabolite RN

1720582

Metabolite name

gamma-hydroxybutyrate

Thai; Dyer; Jacob; Haller; Clinical Pharmacology and Therapeutics; vol. 81; nb. 2; (2007); p. 178 - 184, View in Reaxys 44 of 78

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human Asian; human Hispanic; Human Caucasian

Population State

Healthy; Healthy; Healthy

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

25 mg/kg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

minute

Quantitative value

39.3

Deviation

11

Metabolite RN

1720582

Metabolite name

gamma-hydroxybutyrate

Thai; Dyer; Jacob; Haller; Clinical Pharmacology and Therapeutics; vol. 81; nb. 2; (2007); p. 178 - 184, View in Reaxys 45 of 78

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human Asian; human Hispanic; Human Caucasian

Population State

Healthy; Healthy; Healthy

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Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

25 mg/kg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

AUC (0-inf)

Unit

mg.min/L

Quantitative value

191.3

Deviation

185.700

Metabolite RN

1720582

Metabolite name

gamma-hydroxybutyrate

Thai; Dyer; Jacob; Haller; Clinical Pharmacology and Therapeutics; vol. 81; nb. 2; (2007); p. 178 - 184, View in Reaxys 46 of 78

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human Asian; human Hispanic; Human Caucasian

Population State

Healthy; Healthy; Healthy

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

25 mg/kg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cl/F

Unit

mL/min/kg

Measurement Object

AUC

Quantitative value

375.2

Deviation

395

Metabolite RN

1720582

Metabolite name

gamma-hydroxybutyrate

Thai; Dyer; Jacob; Haller; Clinical Pharmacology and Therapeutics; vol. 81; nb. 2; (2007); p. 178 - 184, View in Reaxys 47 of 78

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human Asian; human Hispanic; Human Caucasian

Population State

Healthy; Healthy; Healthy

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

25 mg/kg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd/F (0-inf)

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Unit

L/kg

Quantitative value

19.7

Deviation

18.6000

Thai; Dyer; Jacob; Haller; Clinical Pharmacology and Therapeutics; vol. 81; nb. 2; (2007); p. 178 - 184, View in Reaxys 48 of 78

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human Asian; human Hispanic; Human Caucasian

Population State

Healthy; Healthy; Healthy

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

25 mg/kg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

minute

Quantitative value

39.4

Deviation

11.2000

Metabolite RN

1720582

Metabolite name

gamma-hydroxybutyrate

Thai; Dyer; Jacob; Haller; Clinical Pharmacology and Therapeutics; vol. 81; nb. 2; (2007); p. 178 - 184, View in Reaxys 49 of 78

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human Asian; human Hispanic; Human Caucasian

Population State

Healthy; Healthy; Healthy

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

25 mg/kg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

mg/L

Quantitative value

45.6

Deviation

19.7000

Metabolite RN

1720582

Metabolite name

gamma-hydroxybutyrate

Thai; Dyer; Jacob; Haller; Clinical Pharmacology and Therapeutics; vol. 81; nb. 2; (2007); p. 178 - 184, View in Reaxys 50 of 78

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human Asian; human Hispanic; Human Caucasian

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Population State

Healthy; Healthy; Healthy

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

25 mg/kg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

minute

Quantitative value

32.3

Deviation

6.60000

Metabolite RN

1720582

Metabolite name

gamma-hydroxybutyrate

Thai; Dyer; Jacob; Haller; Clinical Pharmacology and Therapeutics; vol. 81; nb. 2; (2007); p. 178 - 184, View in Reaxys 51 of 78

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human Asian; human Hispanic; Human Caucasian

Population State

Healthy; Healthy; Healthy

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

25 mg/kg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

AUC (0-inf)

Unit

mg.min/L

Quantitative value

3650.7

Deviation

1560.60

Metabolite RN

1720582

Metabolite name

gamma-hydroxybutyrate

Thai; Dyer; Jacob; Haller; Clinical Pharmacology and Therapeutics; vol. 81; nb. 2; (2007); p. 178 - 184, View in Reaxys 52 of 78

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human Asian; human Hispanic; Human Caucasian

Population State

Healthy; Healthy; Healthy

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

25 mg/kg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cl/F

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Unit

mL/min/kg

Measurement Object

AUC

Quantitative value

366.4

Deviation

162.600

Metabolite RN

1720582

Metabolite name

gamma-hydroxybutyrate

Thai; Dyer; Jacob; Haller; Clinical Pharmacology and Therapeutics; vol. 81; nb. 2; (2007); p. 178 - 184, View in Reaxys 53 of 78

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human Asian; human Hispanic; Human Caucasian

Population State

Healthy; Healthy; Healthy

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

25 mg/kg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd/F (0-inf)

Unit

mL/kg

Quantitative value

366.4

Deviation

162.600

Metabolite RN

1720582

Metabolite name

gamma-hydroxybutyrate

Thai; Dyer; Jacob; Haller; Clinical Pharmacology and Therapeutics; vol. 81; nb. 2; (2007); p. 178 - 184, View in Reaxys 54 of 78

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human Asian; human Hispanic; Human Caucasian

Population State

Healthy; Healthy; Healthy

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

25 mg/kg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

metabolite-to-parent AUC ratio

Measurement Object

AUC

Quantitative value

49

Metabolite RN

1720582

Metabolite name

gamma-hydroxybutyrate

Thai; Dyer; Jacob; Haller; Clinical Pharmacology and Therapeutics; vol. 81; nb. 2; (2007); p. 178 - 184, View in Reaxys 55 of 78

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

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Biological Species/NCBI ID

human Asian; human Hispanic; Human Caucasian

Population State

Healthy; Healthy; Healthy

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

25 mg/kg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cl/F

Unit

mL/min/kg

Measurement Object

AUC

Quantitative value

598.8

Deviation

446.600

Thai; Dyer; Jacob; Haller; Clinical Pharmacology and Therapeutics; vol. 81; nb. 2; (2007); p. 178 - 184, View in Reaxys 56 of 78

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human Asian; human Hispanic; Human Caucasian

Population State

Healthy; Healthy; Healthy

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

25 mg/kg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cl/F

Unit

mL/min/kg

Measurement Object

AUC

Quantitative value

151.5

Deviation

176.500

Thai; Dyer; Jacob; Haller; Clinical Pharmacology and Therapeutics; vol. 81; nb. 2; (2007); p. 178 - 184, View in Reaxys 57 of 78

Substance Effect

Antineoplastic

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of the compound against human colon cancer cell line HT-29 cell line upon incubation for 24 h

Cells/Cell Lines

HT-29 cell line

Substance RN

1633445View in Reaxys

Measurement Parameter

IC50

Unit

ÂľM

Measurement Object

Cell growth

Qualitative value

>

Quantitative value

10000

Measurement pX

1

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Xie, Gang; Sun, Yu; Nie, Ting; Mackenzie, Gerardo G.; Huang, Liqun; Kopelovich, Levy; Komninou, Despina; Rigas, Basil; Journal of Pharmacology and Experimental Therapeutics; vol. 337; nb. 3; (2011); p. 876 - 886, View in Reaxys 58 of 78

59 of 78

60 of 78

Target Name

Cytochrome P450

Target Synonyms

cyp107j1; cypa; cytochrome p450; yrde

Target, Subunit, Species

Cytochrome P450

Target Mutant/Chimera Details

Cytochrome P450:Wild

Substance Action on Target

Inhibitor

Bioassay Category

Metabolism/Transport

Bioassay Details

Compound was tested for inhibitory activity against Cytochrome P450 catalyzed p-hydroxylation of aniline

Substance RN

1633445View in Reaxys

Measurement Parameter

pIC50

Quantitative value

-1.41

Target Name

Formaldehyde dismutase [Pseudomonas putida]

Target Synonyms

fdm; formaldehyde dismutase

Target Uniprot ID

q52078

Target PDB ID

2dph

Target, Subunit, Species

Formaldehyde dismutase [Pseudomonas putida]

Target Mutant/Chimera Details

Formaldehyde dismutase [Pseudomonas putida]:Wild

Target Species (Bioactivity)

Pseudomonas putida

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent relative activity of the compound against pseudomonas putida F61 Formaldehyde dismutase (1 ml) using p-nitroso-N,N-dimethylanilin substrate done at 30 degree C in potassium phosphate, pH 7.0

Biological Species/NCBI ID

Pseudomonas putida F61

Substance RN

1633445View in Reaxys

Measurement Parameter

Activity

Unit

%

Measurement Object

Percent relative activity of the compound

Qualitative value

=

Quantitative value

0.93

Concomitants: Compound name

N-dimethylanilin; p-nitroso-N

Concomitants: Compound role

SUB; SUB

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Toxicity of the compound against ciliate Tetrahymena pyriformis

Biological Species/NCBI ID

Tetrahymena pyriformis

Substance RN

1633445View in Reaxys

Measurement Parameter

pGI50

Measurement Object

Toxicity

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Quantitative value

-2.2365

Roy; Parthasarathi; Maiti; Subramanian; Chattaraj; Bioorganic and Medicinal Chemistry; vol. 13; nb. 10; (2005); p. 3405 3412, View in Reaxys 61 of 78

62 of 78

63 of 78

Target Name

1,3-propanediol dehydrogenase [Lactobacillus brevis]

Target Synonyms

1,3-propanediol dehydrogenase

Target Uniprot ID

a0a0c1q6r1; a0a1w6n6v1; j7gp42

Target, Subunit, Species

1,3-propanediol dehydrogenase [Lactobacillus brevis]

Target Mutant/Chimera Details

1,3-propanediol dehydrogenase [Lactobacillus brevis]:Wild

Target Species (Bioactivity)

Lactobacillus brevis

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Specificity of the compound (155 mM) towards 1,3-propanediol dehydrogenase from Lactobacillus brevis B22 in 100 mM 2-(N-morpholino)ethanesulfonic acid buffer upon incubation at 25 degree C, pH 6.6 in the presence of 100 mM aldehyde

Biological Species/NCBI ID

Lactobacillus brevis B22

Substance RN

1633445View in Reaxys

Measurement Parameter

Activity

Unit

U/mL

Measurement Object

Specificity

Qualitative value

=

Quantitative value

26

Concomitants: Compound name

Aldehyde (100 mM)

Concomitants: Compound role

COM

Target Name

alkan-1-ol dehydrogenase (acceptor)

Target Synonyms

alkan-1-ol dehydrogenase (acceptor); alkan-1-ol dehydrogenase (acceptor) activity; alkan-1-ol:(acceptor) oxidoreductase; alkan-1-ol:acceptor oxidoreductase

Target, Subunit, Species

alkan-1-ol dehydrogenase (acceptor)

Target Mutant/Chimera Details

alkan-1-ol dehydrogenase (acceptor):Wild

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent relative activity towards Polyethylene glycol dehydrogenase incubation at 30 degree C using 250 uM potassium phosphate buffer, pH 8.0 at 5 mM compound concentration

Substance RN

1633445View in Reaxys

Measurement Parameter

Activity

Unit

%

Measurement Object

relative activity

Qualitative value

=

Quantitative value

26

Target Name

1,3-propanediol dehydrogenase [Lactobacillus buchneri]

Target Synonyms

1,3-propanediol dehydrogenase

Target, Subunit, Species

1,3-propanediol dehydrogenase [Lactobacillus buchneri]

Target Mutant/Chimera Details

1,3-propanediol dehydrogenase [Lactobacillus buchneri]:Wild

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64 of 78

65 of 78

Target Species (Bioactivity)

Lactobacillus buchneri

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Specificity of the compound (155 mM) towards 1,3-propanediol dehydrogenase from Lactobacillus buchneri B190 in 100 mM 2-(N-morpholino)ethanesulfonic acid buffer upon incubation at 25 degree C, pH 6.6 in the presence of 100 mM aldehyde

Biological Species/NCBI ID

Lactobacillus buchneri B190

Substance RN

1633445View in Reaxys

Measurement Parameter

Activity

Unit

U/mL

Measurement Object

Specificity

Qualitative value

=

Quantitative value

10

Concomitants: Compound name

Aldehyde (100 mM)

Concomitants: Compound role

COM

Target Name

Alcohol Dehydrogenase 6 (Class V) [Saccharomyces cerevisiae]

Target Synonyms

alcohol dehydrogenase 6 (class v)

Target, Subunit, Species

Alcohol Dehydrogenase 6 (Class V) [Saccharomyces cerevisiae]

Target Mutant/Chimera Details

Alcohol Dehydrogenase 6 (Class V) [Saccharomyces cerevisiae]:Wild

Target Species (Bioactivity)

Saccharomyces cerevisiae

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Oxidative activity of compound towards Alcohol dehydrogenase 6 of saccharomyces cerevisiae YMR318C upon incubation with 33 mM sodium phosphate buffer, pH 7 using 10 mM cinnamyl alcohol as substrate and 1.2 mM NADP

Biological Species/NCBI ID

Saccharomyces cerevisiae YMR318C

Substance RN

1633445View in Reaxys

Measurement Parameter

Activity

Measurement Object

relative activity

Quantitative value

4

Concomitants: Compound name

cinnamyl alcohol

Concomitants: Compound role

COM

Target Name

Tetraspanin-17 [rat]

Target Synonyms

f-box only protein 23; fbxo23; tetraspanin-17; tspan-17; tspan17

Target Uniprot ID

q4v8e0

Target, Subunit, Species

Tetraspanin-17 [rat]

Target Mutant/Chimera Details

Tetraspanin-17 [rat]:Wild

Target Species (Bioactivity)

rat

Bioassay Category

In Vitro (Efficacy)

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67 of 78

Bioassay Details

Percent inhibition of gamma-hydroxybutyrate receptor from rat brain using [3H]GHB at concentration of 10 uM upon incubation in 50 mM potassium phosphate buffer for 30 min at 0 degree C, pH 6.0; Not significant

Biological Species/NCBI ID

rat

Cells/Cell Lines

brain cell

Substance RN

1633445View in Reaxys

Substance Dose

10 µm

Qualitative Results

NS

Measurement Parameter

inhibition rate

Qualitative value

ND

Concomitants: Compound name

[3H]GHB

Concomitants: Compound role

RAD

Target Name

Tetraspanin-17 [rat]

Target Synonyms

f-box only protein 23; fbxo23; tetraspanin-17; tspan-17; tspan17

Target Uniprot ID

q4v8e0

Target, Subunit, Species

Tetraspanin-17 [rat]

Target Mutant/Chimera Details

Tetraspanin-17 [rat]:Wild

Target Species (Bioactivity)

rat

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of gamma-hydroxybutyrate receptor from rat brain using [3H]GHB at concentration of 10 uM upon incubation in 50 mM potassium phosphate buffer for 30 min at 0 degree C, pH 6.0; Not significant

Biological Species/NCBI ID

rat

Organs/Tissues

brain

Substance RN

1633445View in Reaxys

Substance Dose

10 µm

Qualitative Results

NS

Measurement Parameter

inhibition rate

Qualitative value

ND

Concomitants: Compound name

[3H]GHB

Concomitants: Compound role

RAD

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Compound was tested sedative activity in rat; dose related sedative activity observed

Biological Species/NCBI ID

rat

Substance RN

1633445View in Reaxys

Measurement Parameter

Activity

Measurement Object

sedative activity

Qualitative value

ND

M. Cohen; Annual reports in medicinal chemistry; vol. 10; (1975); p. 30 - 38, View in Reaxys

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68 of 78

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Compound was tested for righting reflex in rat; loss of righting reflex observed

Biological Species/NCBI ID

rat

Substance RN

1633445View in Reaxys

Measurement Parameter

Activity

Qualitative value

ND

M. Cohen; Annual reports in medicinal chemistry; vol. 10; (1975); p. 30 - 38, View in Reaxys 69 of 78

Substance Effect

Antibiotic

Bioassay Category

In Vitro (Efficacy)

Biological Species/NCBI ID

Pseudomonas aeruginosa 9027; Escherichia coli ATCC 8739; Staphylococcus aureus subsp. aureus ATCC 6538

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

0.56 %

Measurement Parameter

amount

Unit

cfu/ml

Quantitative value

4100000

Patent; LONZA LTD; RANFT, Volker; WO2014/207179; (2014); (A1) English, View in Reaxys 70 of 78

Substance Effect

Antibiotic

Bioassay Category

In Vitro (Efficacy)

Biological Species/NCBI ID

Pseudomonas aeruginosa 9027; Escherichia coli ATCC 8739; Staphylococcus aureus subsp. aureus ATCC 6538

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

0.56 %

Measurement Parameter

amount

Unit

cfu/ml

Qualitative value

>

Quantitative value

1000000

Patent; LONZA LTD; RANFT, Volker; WO2014/207179; (2014); (A1) English, View in Reaxys 71 of 78

Substance Effect

Antibiotic

Bioassay Category

In Vitro (Efficacy)

Biological Species/NCBI ID

Pseudomonas aeruginosa 9027; Escherichia coli ATCC 8739; Staphylococcus aureus subsp. aureus ATCC 6538

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

0.56 %

Measurement Parameter

amount

Unit

cfu/ml

Qualitative value

>

Quantitative value

1000000

Patent; LONZA LTD; RANFT, Volker; WO2014/207179; (2014); (A1) English, View in Reaxys 72 of 78

Substance Effect

Antibiotic

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Bioassay Category

In Vitro (Efficacy)

Biological Species/NCBI ID

Pseudomonas aeruginosa 9027; Escherichia coli ATCC 8739; Staphylococcus aureus subsp. aureus ATCC 6538

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

0.56 %

Measurement Parameter

amount

Unit

cfu/ml

Qualitative value

>

Quantitative value

1000000

Patent; LONZA LTD; RANFT, Volker; WO2014/207179; (2014); (A1) English, View in Reaxys 73 of 78

Substance Effect

Antibiotic

Bioassay Category

In Vitro (Efficacy)

Biological Species/NCBI ID

Pseudomonas aeruginosa 9027; Escherichia coli ATCC 8739; Staphylococcus aureus subsp. aureus ATCC 6538

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

0.56 %

Measurement Parameter

amount

Unit

cfu/ml

Qualitative value

>

Quantitative value

1000000

Patent; LONZA LTD; RANFT, Volker; WO2014/207179; (2014); (A1) English, View in Reaxys 74 of 78

Substance Effect

Antifungal

Bioassay Category

In Vitro (Efficacy)

Biological Species/NCBI ID

Aspergillus niger ATCC 16404; Candida albicans ATCC 10231

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

0.56 %

Measurement Parameter

amount

Unit

cfu/ml

Qualitative value

>

Quantitative value

10000

Patent; LONZA LTD; RANFT, Volker; WO2014/207179; (2014); (A1) English, View in Reaxys 75 of 78

Substance Effect

Antifungal

Bioassay Category

In Vitro (Efficacy)

Biological Species/NCBI ID

Aspergillus niger ATCC 16404; Candida albicans ATCC 10231

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

0.56 %

Measurement Parameter

amount

Unit

cfu/ml

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Quantitative value

320000

Patent; LONZA LTD; RANFT, Volker; WO2014/207179; (2014); (A1) English, View in Reaxys 76 of 78

Substance Effect

Antifungal

Bioassay Category

In Vitro (Efficacy)

Biological Species/NCBI ID

Aspergillus niger ATCC 16404; Candida albicans ATCC 10231

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

0.56 %

Measurement Parameter

amount

Unit

cfu/ml

Qualitative value

>

Quantitative value

100000

Patent; LONZA LTD; RANFT, Volker; WO2014/207179; (2014); (A1) English, View in Reaxys 77 of 78

Substance Effect

Antifungal

Bioassay Category

In Vitro (Efficacy)

Biological Species/NCBI ID

Aspergillus niger ATCC 16404; Candida albicans ATCC 10231

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

0.56 %

Measurement Parameter

amount

Unit

cfu/ml

Qualitative value

>

Quantitative value

100000

Patent; LONZA LTD; RANFT, Volker; WO2014/207179; (2014); (A1) English, View in Reaxys 78 of 78

Substance Effect

Antifungal

Bioassay Category

In Vitro (Efficacy)

Biological Species/NCBI ID

Aspergillus niger ATCC 16404; Candida albicans ATCC 10231

Substance RN

1633445View in Reaxys

Substance Name

1,4-butanediol

Substance Dose

0.56 %

Measurement Parameter

amount

Unit

cfu/ml

Qualitative value

>

Quantitative value

10000

Patent; LONZA LTD; RANFT, Volker; WO2014/207179; (2014); (A1) English, View in Reaxys

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