Identification

Namecyclohexanone
IUPACcyclohexanone
CAS Number108-94-1
EINECS203-631-1
FDA UNII5QOR3YM052
Molecular FormulaC6 H10 O
Molecular Weight98.14490000
MDL NumberMFCD00001625
Nikkaji NumberJ2.872J
Beilstein0385735
CoE Number11047
XlogP30.80 (est)

Regulatory

JECFA Food Flavoring1100 cyclohexanone
DG SANTE Food Flavourings07.148 cyclohexanone
FEMA Number3909
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)108-94-1 ; CYCLOHEXANONE
FDA RegulationFDA PART 177 -- INDIRECT FOOD ADDITIVES: POLYMERS

Physical Properties

Appearance colorless clear liquid (est)
Assay 99.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.94700 to 0.95000 @ 25.00 °C.
Pounds per Gallon - (est). 7.880 to 7.905
Refractive Index 1.44700 to 1.45300 @ 20.00 °C.
Melting Point -47.00 °C. @ 760.00 mm Hg
Boiling Point 154.00 to 156.00 °C. @ 760.00 mm Hg
Vapor Pressure 4.330000 mmHg @ 25.00 °C.
Vapor Density 3.4 ( Air = 1 )
Flash Point 116.00 °F. TCC ( 46.67 °C. )
logP (o/w) 0.810
Soluble in alcohol

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Description at 1.00 % in dipropylene glycol.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 [sex: M,F] 1705 mg/kg
Dermal Toxicityskin-rabbit LD50 1 ml/kg
Inhalation Toxicityinhalation-rat LC50 8000 ppm/4H

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryfood contact microporous polymeric filters
RIFM Fragrance Material Safety AssessmentSearch
Maximised Survey-derived Daily Intakes (MSDI-EU)0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)0.10 (μg/capita/day)
Structure ClassII
baked goods6.00000
beverages(nonalcoholic)2.50000
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum100.00000
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy2.00000
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 candy12.00000
soups-
sugar substitutes-
sweet sauces-

ECSA Chemicals

Human Chemistry

ECSA Chemicals has been active since 1913 in the trading and international commerce of raw materials. With an organisation divided into industrial segments managed by specialists, it has become one of...

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Lluch Essence S.L.

A family company dedicated to sales and distribution

Flexibility, availability, price and quality.

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Penta International Corporation

Chemistry innovation

At Penta, our products and services help businesses do business better.

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Sigma-Aldrich

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The perfect blend of products and services that bring your creativity to life.

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TCI AMERICA

Moving Your Chemistry Forward

We continuously strive to advance our technology.

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Potential Uses

None Found

Natural Occurrence

basil oil brassica napus ssp. oleifera cistus ladaniferus musa spp. passiflora mucronata pepper bell pepper fruit tea green tea vriesea gladioliflora

Synonyms

anon cyclohexyl ketone cycloyhexyl ketone keto hexamethylene hexanon hytrol O nadone pimelic ketone pimelin ketone sextone PubMed: Effects of curcumin analogues for inhibiting human prostate cancer cells and the growth of human PC-3 prostate xenografts in immunodeficient mice. PubMed: Synthesis and synergistic, additive inhibitory effects of novel spiro derivatives against ringworm infections. PubMed: Changes in acaricidal potency by introducing functional radicals and an acaricidal constituent isolated from Schizonepeta tenuifolia. PubMed: The constituents of essential oil: antimicrobial and antioxidant activity of Micromeria congesta Boiss. & Hausskn. ex Boiss. from East Anatolia. PubMed: Ethambutol-mediated cell wall modification in recombinant Corynebacterium glutamicum increases the biotransformation rates of cyclohexanone derivatives. PubMed: Major constituents and antimicrobial activity of Korean herb Acorus calamus. PubMed: Behavioural and genetic evidence for C. elegans' ability to detect volatile chemicals associated with explosives. PubMed: Characterization by volatile compounds of microbial deep spoilage in Iberian dry-cured ham. PubMed: Productivity of cyclohexanone oxidation of the recombinant Corynebacterium glutamicum expressing chnB of Acinetobacter calcoaceticus. PubMed: Stability of immobilized soybean lipoxygenase in selected organic solvent media. PubMed: Synthesis and fungicidal activity of novel 2-oxocycloalkylsulfonylureas. PubMed: Biologic evaluation of curcumin and structural derivatives in cancer chemoprevention model systems. PubMed: In vivo studies on the metabolism of the monoterpene pulegone in humans using the metabolism of ingestion-correlated amounts (MICA) approach: explanation for the toxicity differences between (S)-(-)- and (R)-(+)-pulegone. PubMed: Anomalous mutagenicity profile of cyclohexanone oxime in bacteria: cell survival in background lawns. PubMed: A cyclohexanonyl bromophenol from the red alga Symphyocladia latiuscula. PubMed: Orbital cortex neuronal responses during an odor-based conditioned associative task in rats. PubMed: Migration from polyamide 'microwave and roasting bags' into roast chicken. PubMed: Gas chromatographic determination of cyclohexanone leached from hemodialysis tubing. PubMed: Metabolism of tetralin (1,2,3,4-tetrahydronaphthalene) in Corynebacterium sp. strain C125. PubMed: Toxicity potential of compounds found in parenteral solutions with rubber stoppers. PubMed: Capillary gas chromatographic determination of cyclohexanone and 2-ethyl-1-hexanol leached from solution administration sets. PubMed: Hyperthermic and anorectic effects of oxazolidines derived from L-ephedrine in rats. PubMed: Capillary GC analysis of compounds leached into parenteral solutions packaged in plastic bags. PubMed: Prediction of ocular irritation by corneal pachymetry.