Cas no 3968-87-4 (2-benzylbutan-1-ol)
2-benzylbutan-1-ol structure
Product Name:2-benzylbutan-1-ol
CAS No:3968-87-4
MF:C11H16O
MW:164.244143486023
CID:1510946
PubChem ID:10953872
Update Time:2025-04-21
2-benzylbutan-1-ol Chemical and Physical Properties
Names and Identifiers
-
- 2-benzylbutan-1-ol
- benzenepropanol, β-ethyl-
- LogP
- 3968-87-4
- 2-benzylbutanol
- DTXSID601314393
- I(2)-Ethylbenzenepropanol
- SCHEMBL345523
- AKOS015261062
-
- Inchi： 1S/C11H16O/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3
- InChI Key： HDWHPQGCZQJPCG-UHFFFAOYSA-N
- SMILES： OCC(CC)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 164.12018
- Monoisotopic Mass: 164.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 106
- 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: 2.6
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
2-benzylbutan-1-ol Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
3968-87-4 (2-benzylbutan-1-ol) Related Products
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- 936-98-1(Cyclopropanemethanol, 2-phenyl-, (1R,2R)-rel-)
- 83811-73-8((4-Phenylcyclohexyl)methanol)
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- 4756-19-8(Cyclamen Alcohol)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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