CAS 3391-87-5 (+)-Menthone (HCID 443159)

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Basic information

CAS: 3391-87-5
Standard SMILES: CC(C)[C@H]1CC[C@H](C)CC1=O
InChIKey: NFLGAXVYCFJBMK-DTWKUNHWSA-N
Molecular formula: C10H18O
Average molar mass: 154.25 g/mol
Monoisotopic mass: 154.13576519

Overview

(+)-menthone is a menthone that is cyclohexanone substituted by a methyl and an isopropyl group at positions 5 and 2 respectively (the 2R,5S-stereoisomer). It is an enantiomer of a (-)-menthone.

Names & identifiers

Preferred name: (+)-Menthone
IUPAC: trans-(2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one
English name: (+)-MENTHONE
Molecular formula: C10H18O
Molecular weight: 154.25

Names & synonyms

(+)-Menthone3391-87-5D-menthone(1S,4R)-p-menthan-3-oneMenthone, (+)-(2R,5S)-2-isopropyl-5-methylcyclohexanone(2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one(+)-(1S,4R)-menthone15F1B5K9A5Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5S)-EINECS 222-227-6CHEBI:31

Show more names

(1S,4R)-p-Menthane-3-one(1S)-trans-p-menthan-3-one(+)-Menthone analytical standard(2R,5S)-2-isopropyl-5-methylcyclohexan-1-one(2R)-5α-Methyl-2β-(1-methylethyl)cyclohexanone(1S,4R)-p-Menthan-3-one, (2R,5S)-2-Isopropyl-5-methylcyclohexanone

DTXSID801341700(2R,5S)-5-methyl-2-(propan-2-yl)cyclohexanoneP-MENTHAN-3-ONE, (1S,4R)-(+)-(2R,5S)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXANONECyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-trans)-RefChem:390601DTXCID0024478222-227-6

Database identifiers

CAS: 3391-87-5

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 149

Experimental & physicochemical properties

Boiling Point208.00 to 210.00 °C. @ 760.00 mm Hg

Physicochemical properties

Boiling point: 209 · 209-210 °C(lit.)
Density: 0.893 g/mL · 0.893 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.450
Flash point: 72 °C · 72 °C
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
color: Clear Colourless
Odor: 10 % · at 10.00 % in dipropylene glycol. mentholic minty
Odor Type: mentholic
optical activity: 20 · [α]20/D +29±1°, neat
BRN: 2041367 · 2041367
Major Application: food and beverages
InChI

Safety & regulation

GHS classification

GHS Classification · 3 items

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAquatic Chronic 3 (100%)

Safety data

F: 10
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
safety_code: 23-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H412
Precautionary statements: P273-P501

Chemistry & industry

Pharmacology

Cellular LocationsExtracellular

Applications

Uses(+)-Menthone is used in biological studies as odororant. It is used in the characterization of broadly tuned mouse odorant receptor MOR256-17 that detects nitrotoluenes and of two more narrowly focused receptors MOR256-8 and MOR256-22.

Suppliers10 total

Syntechem Co.,Ltd[email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

成都标样生物科技有限公司028-81700200 13308200041 · [email protected]

上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]

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Compound notes

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