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cyclohexanone
General Material Information
| Preferred name | cyclohexanone |
| Trivial Name | Cyclohexanone |
| Short Description | ketohexamethylene |
| Formula | C6 H10 O |
| CAS Number | 108-94-1 |
| FEMA Number | 3909 |
| Flavis Number | 7.148 |
| ECHA Number | 203-631-1 |
| FDA UNII | 5QOR3YM052 |
| Nikkaji Number | J2.872J |
| Beilstein Number | 0385735 |
| MDL | MFCD00001625 |
| COE Number | 11047 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1100 cyclohexanone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 108-94-1 ; CYCLOHEXANONE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| cyclohexanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 108-94-1 |
| Pubchem (cid): | 7967 |
| Pubchem (sid): | 134973338 |
| Pherobase: | View |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| Metabolomics Database: | Search |
| UM BBD: | Search |
| KEGG (GenomeNet): | C00414 |
| HMDB (The Human Metabolome Database): | HMDB03315 |
| FooDB: | FDB003418 |
| Export Tariff Code: | 2914.22.1000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •technical: 99.8% •commercial: 89%; high purity: 99.5% | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 98.144897460938 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.88 to 7.905 |
| Refractive Index | 1.447 to 1.453 @ 20 °C |
| Boiling Point | 154 to 156°C @ 760 mm Hg |
| Vapor Pressure | 4.33 mmHg @ 25 °C |
| Vapor Density | 3.4 |
| Flash Point TCC Value | 46.67 °C TCC |
| logP (o/w) | 0.81 |
| Solubility | |
| alcohol | Yes |
| water, 2.408e+004 mg/L @ 25 °C (est) | Yes |
| water, 2.50E+04 mg/L @ 25 °C (exp) | Yes |
Organoleptic Properties
| Odor Type: Minty | |
| minty, acetone | |
| General comment | At 1.00 % in dipropylene glycol. minty acetone |
Occurrences
| (data available) |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 10 - Flammable. R 20 - Harmful by inhalation. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 25 - Avoid contact with eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 [sex: M,F] 1705 mg/kg (Kohli et al., 1967) oral-rat LD50 [sex: M,F] 1840 mg/kg (Deichmann & LeBlanc, 1943) oral-rat LD50 [sex: M,F] 1620 mg/kg (Smyth et al., 1969a) oral-rat LD50 [sex: M,F] 1800 mg/kg (Gupta et al., 1979) oral-mouse LD50 [sex: M,F] 2070 mg/kg (Gupta et al., 1979) gavage-rabbit LD50 [sex: M] 1600 mg/kg (Treon et al., 1943) intraperitoneal-rabbit LD50 [sex: M] 1540 mg/kg (Gupta et al., 1979) intraperitoneal-guinea pig LD50 [sex: M] 930 mg/kg (Price, 1951) intraperitoneal-guinea pig LDLo 760 mg/kg National Technical Information Service. Vol. AD-A066-307 oral-mammal (species unspecified) LD50 3000 mg/kg Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. intraperitoneal-mouse LD50 1230 mg/kg GASTROINTESTINAL: OTHER CHANGES Toxicology and Applied Pharmacology. Vol. 49, Pg. 525, 1979. oral-mouse LD50 1400 mg/kg National Technical Information Service. Vol. AD-A066-307 intraperitoneal-rabbit LD50 1540 mg/kg GASTROINTESTINAL: OTHER CHANGES Toxicology and Applied Pharmacology. Vol. 49, Pg. 525, 1979. oral-rabbit LDLo 1600 mg/kg BEHAVIORAL: GENERAL ANESTHETIC Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 199, 1943. intraperitoneal-rat LD50 1130 mg/kg GASTROINTESTINAL: OTHER CHANGES Toxicology and Applied Pharmacology. Vol. 49, Pg. 525, 1979. oral-rat LD50 1620 uL/kg American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. intravenous-rat LDLo 568 mg/kg Toxicology and Applied Pharmacology. Vol. 37, Pg. 115, 1976. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 1 ml/kg American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. subcutaneous-rat LD50 2170 mg/kg American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. subcutaneous-frog LDLo 1900 mg/kg AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903. subcutaneous-mouse LDLo 1300 mg/kg LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903. subcutaneous-rat LD50 2170 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 415, 1943. | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 8000 ppm/4H Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 18, 1974. inhalation-mammal (species unspecified) LC50 25000 mg/m3 Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. inhalation-guinea pig LCLo 400 ppm/4H National Technical Information Service. Vol. AD-A066-307 inhalation-human TCLo 75 ppm LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 282, 1943. inhalation-mouse TCLo 19200 mg/m3/90 GASTROINTESTINAL: OTHER CHANGES Toxicology and Applied Pharmacology. Vol. 49, Pg. 525, 1979. | |
Safety in use information
| Category: | |||
| food contact microporous polymeric filters | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| 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 | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 19 | |||
| Click here to view publication 19 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 6.00000 | 12.00000 | |
| beverages(nonalcoholic): | 2.50000 | 5.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 100.00000 | 200.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 2.00000 | 5.00000 | |
| 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 | 25.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 51, (FGE.51)[1] - Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) and structurally related to alicyclic ketones, secondary alcohols and related esters evaluated by EFSA in FGE.09 (2004) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 9, Revision 1: (FGE.09 Rev1)[1] - Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical groups 8 and 30, and an ester of a phenol carboxylic acid from chemical group 25 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 9, Revision 2 (FGE.09Rev2): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 51, Revision 1 (FGE.51Rev1): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by the JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev3 (2011) View page or View pdf |
| Flavouring Group Evaluation 51, Revision 2 (FGE.51Rev2): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev6 (2015) View page or View pdf |
| EPI System: View |
| EPA-Iris:IRIS |
| NIOSH International Chemical Safety Cards:search |
| NIOSH Pocket Guide:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| Carcinogenic Potency Database:Search |
| EPA Substance Registry Services (TSCA):108-94-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7967 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1915 |
| WGK Germany:1 |
| cyclohexanone |
| Chemidplus:0000108941 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:108-94-1 |