Molecular & Flavor Profile
Common name:	Menthone
IUPAC name:	(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
SMILES:	CC1CCC(C(=O)C1)C(C)C
CAS:	14073-97-3, 89-80-5
Flavor Profile:	menthol, camphor, peppermint, deep, herbal, raspberry, bitter, camphoraceous
FEMA Flavor Profile:	Green , Fresh , Mint
FEMA Number:	2667
Taste:	bitter
Odor:	slight peppermint odor characteristic odor similar to menthol
Functional Groups:	carbonyl compound, ketone

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Molecular weight: 154.253 g/mol
HBD count: 0
HBA count: 1
Number of rotatable bonds: 1
Complexity: 149.0
Topological Polor Surface Area: 17.1 A^2
Monoisotopic Mass: 154.136 g/mol
Exact Mass: 154.136 g/mol
XlogP: 2.7
Charge: 0 C(coulomb)
Heavy Atom Count: 11
Atom Stereocenter Count: 2
Defined Atom Stereocenter Count: 2
Undefined Atom Stereocenter Count: 0
Bond Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently Bonded Unit Count: 1
InChI: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
Volume 3D: 132.8

Common name: Menthone
IUPAC name: (2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
CAS numbers: 14073-97-3, 89-80-5
SMILES: CC1CCC(C(=O)C1)C(C)C
InChI: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
FlavorDB/FEMA name: MENTHONE
Synonyms: 2-Isopropyl-5-methyl-cyclohexanone; p-Menthan-3-one; Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-; p-men-than-3-one, trans-; trans- Menthan-3-one; trans-p-Menthan-3-one; Menthone; p-Menthone; trans-Menthone
FL number: 7.176
NAS number: 2667
CoE number: 2035
EINECS number: 201-941-1
JECFA number: 429

Flavor profile: menthol, camphor, peppermint, deep, herbal, raspberry, bitter, camphoraceous
FooDB flavor profile: herbal, peppermint, bitter, menthol, camphoraceous, raspberry, deep, camphor
FEMA flavor profile: Green, Fresh, Mint
Odor: slight peppermint odor
characteristic odor similar to menthol
Taste: bitter
Functional groups: carbonyl compound, ketone
Bitter compound: Yes
Source description: Menthone has a characteristic mint-like odor

CoE status: 50 ppm
FDA status: 21 CFR 172.515
JECFA status: Acceptable. No safety concern at current levels of intake when used as a flavoring agent (1998)

Aroma threshold values: minty, cooling, sweet, refreshing, peppermint fresh, slightly dirty woody, camphoraceous with a green herbal anise nuance
Taste threshold values: Taste characteristics at 50 ppm; cooling, peppermint, fresh green, minty, herbal, dirty mentholic with a refreshing camphoraceous nuance

Occurrence summary: Naturally occurring; Reported in 378 FlavorDB source entities
Source entity count: 378
Representative sources: Bread, Barley, Oats, Rice, Corn, Chamomile, Hyssop Oil, Lemon Grass, Lovage, Sea Buckthorns
Documented natural occurrence: Reported found in several stereoisomers in nature; l-menthone is a constituent of the essential oils of Russian and American peppermint, geranium, Andropogon gragrans, Mentha timija and Mentha arvensis; d-menthone is present in the essential oils of Barosma pulchellum, Nepeta japonica Maxim , and others. d-Isomenthone has been reported isolated from Micromeria abis-sinica Benth , Pelargonium tomentosum Jacquin and others; l-isomenthone has been identified in Réunion geranium, Pelargonium capitau and others. Also reported found in lemon peel oil, black currants, celery seed, cinnamon, peppermint, cornmint, pennyroyal and other mentha oils, nutmeg, thymus, cocoa, mushrooms, starfruit, coriander leaf, rice, tarragon, calamus, buckwheat, sweet and bitter fennel, cherimoya, buchu oil, clam and sweet grass oil

ADMET Solubility: -3.2960000000000003
ADMET Solubility Level: 3.0
ADMET BBB: 0.418
ADMET BBB Level: 1.0
ADMET EXT Hepatotoxic: -7.045719999999999
ADMET EXT Hepatotoxic prediction md: False
ADMET EXT Hepatotoxic applicability: All properties and OPS components are within expected ranges.
ADMET EXT Hepatotoxic applicability md: 7.1447899999999995
ADMET EXT Hepatotoxic applicability mdpvalue: 0.991934
ADMET Absorption Level: 0.0
ADMET EXT PPB: -1.50463
ADMET EXT PPB prediction: True
ADMET EXT PPB applicability: All properties and OPS components are within expected ranges.
ADMET EXT PPB applicability md: 7.259519999999999
ADMET EXT PPB applicability mdpvalue: 1.0
ADMET unknown AlogP98: 0.0
ADMET AlogP98: 2.736
ADMET PSA 2D: 17.3

Specifications: (FCC, 1996); Acid value; 1.0; Refractive index; 1.4480–1.453 (25°C); Appearance; Almost colorless liquid; Solubility; Very slightly soluble in water; ; soluble in alcohol and most fixed ; oils; Assay (min); 96% C10H18O; Specific gravity; 0.890–0.894 (25°C) racemic form; ; 0.888–0.895 (25°C) optically active ; form; Boiling point; 207°C

Food category usual/max:

Details of "Molecular & Flavor Profile" and physicochemical properties were obtained from PubChem Substance & Compound Databases, FooDB, Flavornet, SuperSweet, and BitterDB. 2D/3D and ADMET properties were obtained with Discovery Studio.