4-methyl cyclohexanone

4-methylcyclohexanone

CAS: 589-92-4 C7 H12 O MW: 112.17184000 animal

Identification

Name4-methyl cyclohexanone
IUPAC4-methylcyclohexan-1-one
CAS Number589-92-4
EINECS209-665-3
FDA UNII0L1R78K79S
Molecular FormulaC7 H12 O
Molecular Weight112.17184000
MDL NumberMFCD00001643
Nikkaji NumberJ1.213K
Beilstein0506746
XlogP31.40 (est)

Regulatory

JECFA Food Flavoring1104 4-methylcyclohexanone
FEMA Number3948
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)589-92-4 ; 4-METHYLCYCLOHEXANONE

Physical Properties

Appearance colorless clear liquid (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.92400 to 0.93400 @ 25.00 °C.
Pounds per Gallon - (est). 7.689 to 7.772
Refractive Index 1.44100 to 1.45200 @ 20.00 °C.
Boiling Point 169.00 to 171.00 °C. @ 760.00 mm Hg
Vapor Pressure 1.500000 mmHg @ 25.00 °C. (est)
Flash Point 105.00 °F. TCC ( 40.56 °C. )
logP (o/w) 1.380
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description at 10.00 % in propylene glycol.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityintravenous-dog LDLo 370 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'CARDIAC: CHANGE IN RATE\nVASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION']

Safety in Use

Categoryflavoring agents
Recommendation for 4-methyl cyclohexanone usage levels up tonot for fragrance use.
baked goods10.00000
beverages(nonalcoholic)5.00000
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum50.00000
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy5.00000
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy25.00000
soups-
sugar substitutes-
sweet sauces-

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Potential Uses

FR amber FR ambergris FR ambreine FR ambrette oil replacer FL/FR angelica FR animal FR castoreum FL/FR cistus FR civet FR costus fecal fur hair FR labdanum FR leather FR leather russian leather FR mastic oil replacer FR myrrh FR opoponax FR spikenard oil replacer FL/FR valerian FR vetiver

Natural Occurrence

chocolate dark chocolate PMC

Synonyms

cyclohexanone, 4-methyl- 4- methyl-1-cyclohexanone 1- methyl-4-oxocyclohexane 4- methyl-cyclohexanone 4- methylcyclohexan-1-one 4- methylcyclohexanone p- methylcyclohexanone tetrahydro-p-cresol PubMed: Clathrates of TETROL: selective inclusion of methylcyclohexanones in their energetically unfavorable axial methyl conformations. PubMed: Changes in acaricidal potency by introducing functional radicals and an acaricidal constituent isolated from Schizonepeta tenuifolia. PubMed: Microbial monooxygenase amperometric biosensor for monitoring of Baeyer-Villiger biotransformation. PubMed: Functional characterization of a novel tropinone reductase-like gene in Dendrobium nobile Lindl. PubMed: Molecular cloning and characterization of a tropinone reductase from Dendrobium nobile Lindl. PubMed: Quantum mechanical/molecular mechanical study on the mechanism of the enzymatic Baeyer-Villiger reaction. PubMed: Viability of free and encapsulated Escherichia coli overexpressing cyclopentanone monooxygenase monitored during model Baeyer-Villiger biooxidation by confocal laser scanning microscopy. PubMed: A concise total synthesis of (+/-)-acutifolone A. PubMed: Catalytic oxidation with air of cyclohexanone to dicarboxylic acids on synthetic carbons. Effect of supported metals and solvents. PubMed: A concise formal synthesis of alkaloid cryptotackiene and substituted 6H-indolo[2,3-b]quinolines. PubMed: N-terminal 4-imidazolidinone prodrugs of Leu-enkephalin: synthesis, chemical and enzymatic stability studies. PubMed: Diastereoselective Vinyl Phosphate/beta-Keto Phosphonate Rearrangements. PubMed: Metabolic studies with nonnutritive sweeteners cyclooctylsulfamate and 4-methylcyclohexylsulfamate. PubMed: STEREOCHEMICAL ASPECTS OF THE METABOLISM OF THE ISOMERIC METHYLCYCLOHEXANOLS AND METHYLCYCLOHEXANONES. PubMed: The reaction of phenylmagnesium bromide with 2-chloro-4-methylcyclohexanone.