CAS 617-94-7|alpha,alpha-Dimethylbenzyl alcohol|2-Phenylpropan-2-ol 98+%|Dimethylphenylcarbinol|alpha-Hydroxycumene|cumyl alcohol|2-phenylpropan-2-ol|2-Phenyl-2-propanol|α,α-Dimethylbenzyl alcohol|...

基本信息

化学结构

分子式

C₉H₁₂O

分子量

136.19098

精确质量

136.088815

电荷

InChI

InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3

InChIKey

BDCFWIDZNLCTMF-UHFFFAOYSA-N

Canonic Smiles

CC(c1ccccc1)(O)C

Isomeric Smiles

OC(c1ccccc1)(C)C

计算属性

JChem

LogD (pH = 7.4)

1.90

LogD (pH = 5.5)

1.90

Log P

1.90

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

14.60

极化表面积

20.23

极化性

15.61

摩尔折射率

41.93

LOG S

-1.43

数据来源

名称和标识

IUPAC传统名

cumyl alcohol

别名

Dimethylphenylcarbinolalpha-Hydroxycumene2-Phenylpropan-2-ol 98+%alpha,alpha-Dimethylbenzyl alcoholα,α-二甲基苄醇2-苯基-2-丙醇2-Phenyl-2-propanolDimethyl phenyl carbinolα,α-Dimethylbenzyl alcohol二甲基苯基甲醇2-phenyl-2-propanoldimethylphenylmethanolphenyldimethylcarbinol2-phenylpropan-2-oldimethylphenylcarbinol2-phenylisopropanolalpha,alpha-dimethylbenzyl aldohol2-phenylpropan-2-ol1-hydroxycumenealpha,alpha-dimethylbenzenemethanolalpha-cumyl alcohol

IUPAC标准名

2-phenylpropan-2-ol

名称和标识

数据登录号

Beilstein号

CAS号

MDL号

EC号