CAS 98-55-5|CAS 8000-41-7|p-menth-1-en-8-ol|terpineol|2-(4-methylcyclohex-3-en-1-yl)propan-2-ol|TERPINEOL|4-Trimethyl-3-cyclohexene-1-methanol|α-TERPINEOL|<i>p</i>-Menth- 1-en-8-ol|<i>alpha</i...

基本信息

化学结构

分子式

C₁₀H₁₈O

分子量

154.24932

精确质量

154.1357652

电荷

InChI

InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3

InChIKey

WUOACPNHFRMFPN-UHFFFAOYSA-N

Canonic Smiles

CC1=CCC(CC1)C(O)(C)C

Isomeric Smiles

CC1=CCC(CC1)C(C)(C)O

计算属性

JChem

LogD (pH = 7.4)

2.17

LogD (pH = 5.5)

2.17

Log P

2.17

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

-0.87

极化表面积

20.23

极化性

19.00

摩尔折射率

48.46

LOG S

-1.72

数据来源

名称和标识

别名

p-menth-1-en-8-olTERPINEOL4-Trimethyl-3-cyclohexene-1-methanolα-TERPINEOLp-Menth- 1-en-8-olalpha-TerpineolTerpene alcoholα-Terpineolα,α,4- Trimethylcyclohex- 3-ene- 1-methanol2-(4-methylcyclohex-3-en-1-yl)propan-2-olTerpineol, mixed isomersα-萜品醇, 96%最低alpha-Terpineolalpha,alpha,4-Trimethyl-3-cyclohexene-1-methanolalpha,alpha,4-trimethyl-3-cyclohexene-1-methanol2-(4-methyl-3-cyclohexenyl)-2-propanol1-methyl-4-isopropyl-1-cyclohexen-8-ol1-menthene-8-olalpha-terpineol1-alpha-terpineol1-methyl-4-isopropyl-1-cyclohexene-8-olalpha-terpineol

IUPAC传统名

terpineol

IUPAC标准名

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

名称和标识

数据登录号

CHEBI ID

22469CHEBI:22469

CHEMBL

507795CHEMBL449810

Chemspider ID

13850142