ChemicalBook--->CAS DataBase List--->13368-65-5

13368-65-5

13368-65-5 Structure

13368-65-5 Structure
IdentificationBack Directory
[Name]

(+)-3-METHYLCYCLOHEXANONE
[CAS]

13368-65-5
[Synonyms]

Einecs 236-438-6
Cyclohexanone, 3-methyl-
(+)-3-METHYLCYCLOHEXANONE
(+)-3-METHYLCYCLOHEXANONE
(3R)-3-Methylcyclohexanone
(R)-(+)-3-METHYLCYCLOHEXANONE
(3r)-3-Methylcyclohexan-1-one
(+)-(3R)-3-Methylcyclohexanone
Cyclohexanone, 3-methyl-, (3R)-
(R)-(+)-3-Methylcyclohexanone 98%
[EINECS(EC#)]

236-438-6
[Molecular Formula]

C7H12O
[MDL Number]

MFCD00062999
[MOL File]

13368-65-5.mol
[Molecular Weight]

112.17
Chemical PropertiesBack Directory
[Boiling point ]

168-169 °C(lit.)
[density ]

0.916 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.446(lit.)
[Fp ]

125 °F
[solubility ]

Insoluble in water, soluble in alcohol and oils.
[form ]

liquid
[color ]

Colorless
[Specific Gravity]

0.92
[Odor]

Fresh, camphoraceous-minty, but rather weak odor of poor tenacity.
[Optical Rotation]

[α]24/D +13.5°, neat
[Dielectric constant]

12.4
[InChI]

InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6-/m1/s1
[InChIKey]

UJBOOUHRTQVGRU-ZCFIWIBFSA-N
[SMILES]

C1(=O)CCC[C@@H](C)C1
[LogP]

1.356 (est)
Safety DataBack Directory
[Risk Statements ]

10
[Safety Statements ]

16-27-36/37/39
[RIDADR ]

UN 2297 3/PG 3
[WGK Germany ]

1
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Hazard InformationBack Directory
[Uses]

(R)-(+)-3-Methylcyclohexanone may be used in the preparation of (R)-5-methyl-2-(1-methylethylidene-d6)-cyclohexanone [(R)-(+)-pulegone-d6].
[Preparation]

By dehydration of Pulegone, which is obtained e. g. as an intermediate in the production of synthetic Menthol.
Spectrum DetailBack Directory
[Spectrum Detail]

(+)-3-METHYLCYCLOHEXANONE(13368-65-5)1HNMR
(+)-3-METHYLCYCLOHEXANONE(13368-65-5)Raman
(+)-3-METHYLCYCLOHEXANONE(13368-65-5)FT-IR
(+)-3-METHYLCYCLOHEXANONE(13368-65-5)IR
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