Cas no 131204-98-3 (Benzeneethanol, b-methyl-2-(1-methylethyl)-)
131204-98-3 structure
Product Name:Benzeneethanol, b-methyl-2-(1-methylethyl)-
CAS No:131204-98-3
MF:C12H18O
MW:178.270723819733
CID:105417
PubChem ID:23621240
Update Time:2025-04-18
Benzeneethanol, b-methyl-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanol, b-methyl-2-(1-methylethyl)-
- Benzeneethanol,-bta--methyl-2-(1-methylethyl)-(9CI)
- Benzeneethanol, -ba--methyl-2-(1-methylethyl)- (9CI)
- 131204-98-3
- 2-(2-Propan-2-ylphenyl)propan-1-ol
-
- Inchi： 1S/C12H18O/c1-9(2)11-6-4-5-7-12(11)10(3)8-13/h4-7,9-10,13H,8H2,1-3H3
- InChI Key： FQBKPRKGUNFSIF-UHFFFAOYSA-N
- SMILES： OCC(C)C1C=CC=CC=1C(C)C
Computed Properties
- Exact Mass: 272.08309
- 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: 3
- Complexity: 142
- 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: 3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 52.54
Benzeneethanol, b-methyl-2-(1-methylethyl)- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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