Cas no 7500-73-4 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
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- (2R)-2-benzylhexan-1-ol; (2R)-2-Benzyl-1-hexanol; AKOS015401117; AC1L89WY; (R)-2-benzylhexan-1-ol; 2-benzyl-hexan-1-ol; NSC408011; (2R)-2-benzyl-1-hexanol;
- 7500-73-4
- AKOS015401117
- DTXSID60324931
- 2-benzylhexan-1-ol
- NSC-408011
- 2-benzyl-hexan-1-ol
- NSC408011
- XJYQKMILKRZVRO-UHFFFAOYSA-N
-
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- Inchi： 1S/C13H20O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-9,13-14H,2-3,7,10-11H2,1H3
- InChI Key： XJYQKMILKRZVRO-UHFFFAOYSA-N
- SMILES： OCC(CC1C=CC=CC=1)CCCC
Computed Properties
- Exact Mass: 192.1515
- Monoisotopic Mass: 192.151
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 127
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.948
- Boiling Point: 298°C at 760 mmHg
- Flash Point: 118.7°C
- Refractive Index: 1.508
- PSA: 20.23
- LogP: 3.02780
Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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