Cas no 110683-66-4 (Benzenemethanol,2-pentyl-)
Benzenemethanol,2-pentyl- structure
Product Name:Benzenemethanol,2-pentyl-
CAS No:110683-66-4
MF:C12H18O
MW:178.270723819733
CID:128906
PubChem ID:10058085
Update Time:2025-04-18
Benzenemethanol,2-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol,2-pentyl-
- (2-pentylphenyl)methanol
- Benzenemethanol, 2-pentyl- (9CI)
- SCHEMBL357023
- 110683-66-4
- DTXSID00434841
- QEFLAMNANSNAKU-UHFFFAOYSA-N
- 2-pentylbenzyl alcohol
-
- Inchi： 1S/C12H18O/c1-2-3-4-7-11-8-5-6-9-12(11)10-13/h5-6,8-9,13H,2-4,7,10H2,1H3
- InChI Key： QEFLAMNANSNAKU-UHFFFAOYSA-N
- SMILES： OCC1C=CC=CC=1CCCCC
Computed Properties
- Exact Mass: 178.13584
- Monoisotopic Mass: 178.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 122
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
- LogP: 2.91160
Benzenemethanol,2-pentyl- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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