precursor

Showing entry for Menthol

Identification

PhytoHub ID
PHUB000062
Name
Menthol
Synonyms
  • Peppermint camphor
CAS Number
Not Available
Average Mass
156.269
Monoisotopic Mass
156.151415264
Chemical Formula
C10H20O
IUPAC Name
menthol
InChI Key
NOOLISFMXDJSKH-KXUCPTDWSA-N
InChI Identifier
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
Structure
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Calculated Properties

Solubility (ALOGPS)
5.58e-01 g/l
LogS (ALOGPS)
-2.45
LogP (ALOGPS)
2.68
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
20.23
Refractivity
47.445299999999996
Polarizability
19.69012569770345
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-0.8087842408951696
pKa (strongest acidic)
19.54964736878105
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Taxonomy

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP000249MassBankEI-B Spectrum - -, [M]+*View Spectra
JP001568MassBankEI-B Spectrum - -, [M]+*View Spectra
JP002472MassBankEI-B Spectrum - -, [M]+*View Spectra
JP003593MassBankEI-B Spectrum - -, [M]+*View Spectra
JP003595MassBankEI-B Spectrum - -, [M]+*View Spectra
JP003596MassBankEI-B Spectrum - -, [M]+*View Spectra
JP003597MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006346MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006566MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006931MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006932MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006933MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006934MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006935MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007386MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007387MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007388MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007389MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008410MassBankEI-B Spectrum - -, [M]+*View Spectra
JP008411MassBankEI-B Spectrum - -, [M]+*View Spectra
PS043602ReSpectN/A Spectrum - 20, [M+H]+View Spectra

Food Sources

NameGroup
PeppermintHerbs and Spices PublicationsShow
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