Cas no 60621-20-7 ((1E)-oct-1-en-1-ol)
(1E)-oct-1-en-1-ol structure
Product Name:(1E)-oct-1-en-1-ol
CAS No:60621-20-7
MF:C8H16O
MW:128.212042808533
CID:1624915
PubChem ID:6443047
Update Time:2025-04-21
(1E)-oct-1-en-1-ol Chemical and Physical Properties
Names and Identifiers
-
- (1E)-oct-1-en-1-ol
- (E)-oct-1-en-1-ol
- octenol
- SCHEMBL29312
- 60621-20-7
-
- Inchi： 1S/C8H16O/c1-2-3-4-5-6-7-8-9/h7-9H,2-6H2,1H3/b8-7+
- InChI Key： MDVPRIBCAFEROC-BQYQJAHWSA-N
- SMILES： O/C=C/CCCCCC
Computed Properties
- Exact Mass: 128.12018
- Monoisotopic Mass: 128.120115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 67
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 20.2
Experimental Properties
- Density: 0.845
- Boiling Point: 186.2°C at 760 mmHg
- Flash Point: 73.1°C
- Refractive Index: 1.449
- PSA: 20.23
(1E)-oct-1-en-1-ol Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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