Menthone

C₁₀H₁₈OCAS 14073-97-3154.25 g/mol

Open in Covalent MOL file

Ketone

Properties

Molecular formula: C₁₀H₁₈O
Molar mass: 154.25 g/mol
Exact mass: 154.1358 Da
Density: 0.8955 g/mL (at 20 °C)
Melting point: −6 °C
Boiling point: 207 °C
Water solubility: 688 mg/L
logP: 2.65Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1
Stereocentres: S, Rin SMILES atom order

Hazards

Warning

H226 Flammable liquid and vapor74.2% of notifiers
H315 Causes skin irritation14.6% of notifiers
H317 May cause an allergic skin reaction14.2% of notifiers
H412 Harmful to aquatic life with long lasting effects88.8% of notifiers

Aggregated from 1,816 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P302+P352, P303+P361+P353, P321, P332+P317, P333+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

14073-97-3

SMILES

CC(C)[C@@H]1CC[C@@H](C)CC1=O

InChIKey

NFLGAXVYCFJBMK-BDAKNGLRSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

13 names · show all

(-)-Menthone
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S,5R)-
p-Menthan-3-one, (1R,4S)-(-)-
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-trans)-
(2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexanone
L-Menthone
trans-(-)-p-Menthan-3-one
(1R,4S)-Menthone
(1R,4S)-p-Menthan-3-one
(1R,4S)-p-Menth-3-one
(2S,5R)-2-Isopropyl-5-methylcyclohexanone
(2S,5R)-(-)-Menthone
(2S,5R)-2-Isopropyl-5-methylcyclohexan-1-one

Reactions

l-Menthoneproduct

Work with Menthone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

p-Menthan-3-one10458-14-7Stereo not defined

Similar compounds

p-Mentha-8-thiol-3-one38462-22-546 % similar 3-Methylcyclopentanone1757-42-240 % similar Rikacid MH19438-60-938 % similar (RS)-3-Methylcyclohexanone591-24-238 % similar Beta-Methyl-delta-valerolactone1121-84-236 % similar Curdione13657-68-636 % similar P-Menthane99-82-136 % similar (+-)-3-Methyladipic acid3058-01-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(-)-α-Terpineol10482-56-1 3-Decen-2-one10519-33-2 Citric106-23-0 Geraniol106-24-1 Nerol106-25-2 Isoborneol124-76-5 (-)-Linalool126-91-0

Elsewhere

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