cyclohexanone
ketohexamethylene
Identification
| Name | cyclohexanone |
| IUPAC | cyclohexanone |
| CAS Number | 108-94-1 |
| EINECS | 203-631-1 |
| FDA UNII | 5QOR3YM052 |
| Molecular Formula | C6 H10 O |
| Molecular Weight | 98.14490000 |
| MDL Number | MFCD00001625 |
| Nikkaji Number | J2.872J |
| Beilstein | 0385735 |
| CoE Number | 11047 |
| XlogP3 | 0.80 (est) |
Regulatory
| JECFA Food Flavoring | 1100 cyclohexanone |
| DG SANTE Food Flavourings | 07.148 cyclohexanone |
| FEMA Number | 3909 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 108-94-1 ; CYCLOHEXANONE |
| FDA Regulation | FDA 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
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | at 1.00 % in dipropylene glycol. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 [sex: M,F] 1705 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 1 ml/kg |
| Inhalation Toxicity | inhalation-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
| Category | food contact microporous polymeric filters |
| RIFM Fragrance Material Safety Assessment | Search |
| 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 Class | II |
| baked goods | 6.00000 |
| beverages(nonalcoholic) | 2.50000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 100.00000 |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 2.00000 |
| 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 candy | 12.00000 |
| 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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Potential Uses
Natural Occurrence
Synonyms
anon
cyclohexyl ketone
cycloyhexyl ketone
keto
hexamethylene
hexanon
hytrol O
nadone
pimelic ketone
pimelin ketone
sextone
PubMed:
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Synthesis and synergistic, additive inhibitory effects of novel spiro derivatives against ringworm infections.
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Changes in acaricidal potency by introducing functional radicals and an acaricidal constituent isolated from Schizonepeta tenuifolia.
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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.
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Behavioural and genetic evidence for C. elegans' ability to detect volatile chemicals associated with explosives.
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Characterization by volatile compounds of microbial deep spoilage in Iberian dry-cured ham.
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Productivity of cyclohexanone oxidation of the recombinant Corynebacterium glutamicum expressing chnB of Acinetobacter calcoaceticus.
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Stability of immobilized soybean lipoxygenase in selected organic solvent media.
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Synthesis and fungicidal activity of novel 2-oxocycloalkylsulfonylureas.
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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.
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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.
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Capillary GC analysis of compounds leached into parenteral solutions packaged in plastic bags.
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Prediction of ocular irritation by corneal pachymetry.