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591-24-2

591-24-2 Structure

591-24-2 Structure
IdentificationMore
[Name]

3-METHYLCYCLOHEXANONE
[CAS]

591-24-2
[Synonyms]

(+/-)-3-METHYLCYCLOHEXANONE
3-METHYLCYCLOHEXANONE
FEMA 3947
M-METHYLCYCLOHEXANONE
TETRAHYDRO-M-CRESOL
(R,S)-3-Methyl-cyclohexanone
3-methyl-cyclohexanon
Methyl-3 cyclohexanone-1
methyl-3cyclohexanone-1
m-Methylcyclohexanon
3-METHYLCYCLOHEXANONE 97+%
3-Methylcyclohexanone,98+%
(3S)-3-Methylcyclohexanone
(3S)-3β-Methylcyclohexanone
(S)-3-Methylcyclohexanone
3-Methyl-1-cyclohexanone
5-Methylcyclohexanone
[EINECS(EC#)]

209-710-7
[Molecular Formula]

C7H12O
[MDL Number]

MFCD00001639
[Molecular Weight]

112.17
[MOL File]

591-24-2.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID
[Melting point ]

-73 °C
[alpha ]

[α]D20 0.0±0.5゜ (neat)
[Boiling point ]

169-170 °C (lit.)
[density ]

0.914 g/mL at 25 °C(lit.)
[FEMA ]

3947
[refractive index ]

n20/D 1.446(lit.)
[Fp ]

125 °F
[storage temp. ]

Flammables area
[form ]

Liquid
[color ]

Clear colorless to very slightly yellow
[Odor]

at 10.00 % in dipropylene glycol. minty camphor medicinal
[Odor Type]

camphoreous
[Water Solubility ]

1.498g/L(20 ºC)
[JECFA Number]

1103
[BRN ]

969804
[Dielectric constant]

12.4
[LogP]

1.25
[CAS DataBase Reference]

591-24-2(CAS DataBase Reference)
[EPA Substance Registry System]

Cyclohexanone, 3-methyl- (591-24-2)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 2297 3/PG 3
[WGK Germany ]

1
[RTECS ]

GW1750100
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29142200
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrahydrofuran-->Sodium-->Cuprous bromide-->Trimethylaluminium-->2-Cyclohexen-1-one
Hazard InformationBack Directory
[Chemical Properties]

3-Methylcyclohexanone has an acetone-like odor.
[Chemical Properties]

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID
[Occurrence]

Reported found in the plant Mentha pulegium L. (European pennyroyal), peppermint oil, cornmint oil, penny royal oil, buchu oil and heater beef fat
[Uses]

3-Methylcyclohexanone is used as a fragrant and flavouring agent.
[Aroma threshold values]

Aroma characteristics at 1.0%: minty cooling, clean and impacting with a slight medicinal solvent nuance.
[Taste threshold values]

Taste characteristics at 15 ppm: minty, sweet, lifting cooling with a slight ethereal solvent-like impact; fresh and slightly medicinal
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 47, p. 2790, 1982 DOI: 10.1021/jo00135a024
Tetrahedron Letters, 25, p. 5911, 1984 DOI: 10.1016/S0040-4039(01)81718-4
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYLCYCLOHEXANONE(591-24-2)MS
3-METHYLCYCLOHEXANONE(591-24-2)1HNMR
3-METHYLCYCLOHEXANONE(591-24-2)13CNMR
3-METHYLCYCLOHEXANONE(591-24-2)IR1
3-METHYLCYCLOHEXANONE(591-24-2)IR2
3-METHYLCYCLOHEXANONE(591-24-2)Raman
3-METHYLCYCLOHEXANONE(591-24-2)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Methylcyclohexanone, 97%(591-24-2)
[Sigma Aldrich]

591-24-2(sigmaaldrich)
[TCI AMERICA]

3-Methylcyclohexanone,>97.0%(GC)(591-24-2)
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