Cas no 139164-92-4 (1-Hexen-3-ol, (R)-)
1-Hexen-3-ol, (R)- structure
Product Name:1-Hexen-3-ol, (R)-
CAS No:139164-92-4
MF:C6H12O
MW:100.158882141113
CID:1262555
Update Time:2024-08-04
1-Hexen-3-ol, (R)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexen-3-ol, (R)-
- (3R)-1-hexen-3-ol
- 1-Hexen-3-ol, (3R)-
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- Inchi： 1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3
- InChI Key： BVOSSZSHBZQJOI-UHFFFAOYSA-N
- SMILES： CCCC(C=C)O
Computed Properties
- Exact Mass: 100.08886
- Monoisotopic Mass: 100.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 50.1
- 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
- Topological Polar Surface Area: 20.2A^2
Experimental Properties
- Color/Form: Amber liquid
- Density: 0.835
- Melting Point: -15 C
- Boiling Point: 135℃
- Flash Point: 35℃
- Refractive Index: 1.427-1.43
- PSA: 20.23
- LogP: 1.33340
1-Hexen-3-ol, (R)- Security Information
- Storage Condition：Keep away from sources of ignition. Store in a cool, dry place. Store in tightly closed containers away from flammable areas.
1-Hexen-3-ol, (R)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
139164-92-4 (1-Hexen-3-ol, (R)-) Related Products
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