Identification

PhytoHub ID
PHUB000064
Name
Menthyl acetate
Synonyms
Not Available
CAS Number
Not Available
Average Mass
198.306
Monoisotopic Mass
198.161979948
Chemical Formula
C12H22O2
IUPAC Name
menthyl acetate
InChI Key
XHXUANMFYXWVNG-ADEWGFFLSA-N
InChI Identifier
InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1
SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(C)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.88e-02 g/l
LogS (ALOGPS)
-4.02
LogP (ALOGPS)
3.54
Hydrogen Acceptors
1
Hydrogen Donors
0
Rotatable Bond Count
3
Polar Surface Area
26.3
Refractivity
56.59680000000001
Polarizability
23.72013358516462
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-7.003223453074533
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP000126MassBankEI-B Spectrum - -, [M]+*View Spectra
JP000127MassBankEI-B Spectrum - -, [M]+*View Spectra
JP000128MassBankEI-B Spectrum - -, [M]+*View Spectra
JP000129MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006483MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006615MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006616MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006617MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006618MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007612MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007613MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007614MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007615MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008540MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008962MassBankEI-B Spectrum - -, [M]+*View Spectra
JP009310MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
PeppermintHerbs and Spices PublicationsShow

Metabolism

No metabolism information available

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