Cas no 34577-40-7 (Benzeneethanol, a,a-diethyl-)
Benzeneethanol, a,a-diethyl- structure
Product Name:Benzeneethanol, a,a-diethyl-
CAS No:34577-40-7
MF:C12H18O
MW:178.270723819733
CID:317320
PubChem ID:118704
Update Time:2025-04-19
Benzeneethanol, a,a-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanol, a,a-diethyl-
- 3-benzylpentan-3-ol
- alpha,alpha-Diethylphenethyl alcohol
- Benzeneethanol, alpha,alpha-diethyl-
- 327U45PG6Q
- DTXSID9067857
- .ALPHA.,.ALPHA.-DIETHYLBENZENEETHANOL
- UNII-327U45PG6Q
- Benzeneethanol, .alpha.,.alpha.-diethyl-
- Diaethylbenzylcarbinol
- 34577-40-7
- NS00029688
- EINECS 252-098-1
- SCHEMBL1825667
- 3-benzyl-3-pentanol
-
- Inchi： 1S/C12H18O/c1-3-12(13,4-2)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3
- InChI Key： VXSLZYONEMVQRB-UHFFFAOYSA-N
- SMILES： OC(CC)(CC)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 178.136
- Monoisotopic Mass: 178.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 132
- 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: 3.2
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.959
- Boiling Point: 237.1°Cat760mmHg
- Flash Point: 104.2°C
- Refractive Index: 1.512
Benzeneethanol, a,a-diethyl- Related Literature
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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