CAS 99210-90-9|CAS 107-41-5|R-(-)-2-METHYL-2,4-PENTANEDIOL|2-methylpentane-2,4-diol|Hexylene glycol|2-methyl-2,4-pentanediol|Diolane|2,4-Dihydroxy-2-methylpentane|1,1,3-Trimethyltrimethylenediol|2-M...

基本信息

化学结构

分子式

C₆H₁₄O₂

分子量

118.17416

精确质量

118.09937969

电荷

InChI

InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3

InChIKey

SVTBMSDMJJWYQN-UHFFFAOYSA-N

Canonic Smiles

CC(CC(O)(C)C)O

Isomeric Smiles

CC(O)CC(C)(C)O

计算属性

JChem

LogD (pH = 7.4)

-0.03

LogD (pH = 5.5)

-0.03

Log P

-0.03

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

15.12

极化表面积

40.46

极化性

13.54

摩尔折射率

32.89

LOG S

0.09

数据来源

名称和标识

别名

R-(-)-2-METHYL-2,4-PENTANEDIOLHexylene glycolDiolane2,4-Dihydroxy-2-methylpentane1,1,3-Trimethyltrimethylenediol2-Methyl-2,4-pentanediol(±)-2-甲基-2,4-戊二醇MPDHexylene glycol2-甲基-2,4-戊二醇(±)-2-Methyl-2,4-pentanediol2-Methyl-2,4-pentanediol 3 M solutionAdditive Screening Solution 02/Fluka kit no 783742-Methyl-2,4-pentanediol solution(±)-2-甲基-2,4-戊二醇(+/-)-Hexylene glycol(±)-2-Methyl-2,4-pentanediolalpha,alpha,alpha'-trimethyltrimethylene glycol1,3-dimethyl-3-hydroxybutanol4-Methyl-2,4-pentanediol1,1,3-Trimethyltrimethylenediol2-Methyl-2,4-pentandiolMPD1,1,3-trimethyl-1,3-propanediol2-Methyl pentane-2,4-diol1,3,3-trimethyl-1,3-propanediol2-methylpentane-2,4-diolHexylene glycol2-Methyl-2,4-pentanediol2,4-Dihydroxy-2-methylpentane

IUPAC标准名

2-methylpentane-2,4-diol

IUPAC传统名

2-methyl-2,4-pentanediol

名称和标识

数据登录号

CAS号

99210-90-9107-41-5

EC号

203-489-0

Beilstein号

1098298