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...

General Information

Structure

Molecular Formula

C₁₀H₁₈O

Molecular Mass

154.24932

Exact Mass

154.1357652

Charge

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

Calculated Properties

JChem

LogD (pH = 7.4)

2.17

LogD (pH = 5.5)

2.17

Log P

2.17

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

-0.87

Polar Surface Area

20.23

Polarizability

19.00

Molar Refractivity

48.46

LOG S

-1.72

Data Source

Names and Identifiers

Synonyms

p-menth-1-en-8-olTERPINEOL4-Trimethyl-3-cyclohexene-1-methanolα-TERPINEOLalpha-Terpineolα-TerpineolTerpene alcoholp-Menth- 1-en-8-olα,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-methanol1-alpha-terpineolalpha-terpineol1-methyl-4-isopropyl-1-cyclohexene-8-ol1-methyl-4-isopropyl-1-cyclohexen-8-olalpha-terpineol1-menthene-8-ol2-(4-methyl-3-cyclohexenyl)-2-propanol

IUPAC Traditional name

terpineol

IUPAC name

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

Names and Identifiers

Registration numbers

CHEBI ID

22469CHEBI:22469

Chemspider ID

13850142

Unique Ingredient Identifier

21334LVV8W