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1-acetyl cyclohexyl acetate
General Material Information
| Preferred name | 1-acetyl cyclohexyl acetate |
| Trivial Name | 1-[1-(Acetyloxy)cyclohexyl]ethanone |
| Short Description | methyl 1-acetoxycyclohexyl ketone |
| Formula | C10 H16 O3 |
| CAS Number | 52789-73-8 |
| FEMA Number | 3701 |
| ECHA Number | 258-186-6 |
| FDA UNII | 987IZ840TA |
| Nikkaji Number | J295.802C |
| xLogP3-AA | 1.50 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 442 methyl 1-acetoxycyclohexyl ketone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 52789-73-8 ; METHYL 1-ACETOXYCYCLOHEXYL KETONE |
| 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
| (1-acetylcyclohexyl) acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 52789-73-8 |
| Pubchem (cid): | 62017 |
| Pubchem (sid): | 135020259 |
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 |
| HMDB (The Human Metabolome Database): | HMDB39710 |
| FooDB: | FDB019345 |
| Export Tariff Code: | 2915.39.9050 |
| ChemSpider: | View |
Suppliers
| Axsyn | BOC Sciences |
| Parchem |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 184.23512268066 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.654 to 8.737 |
| Refractive Index | 1.46 to 1.47 @ 20 °C |
| Vapor Pressure | 0.022 mmHg @ 25 °C |
| Flash Point TCC Value | 102.78 °C TCC |
| logP (o/w) | 1.741 est |
| Solubility | |
| alcohol | Yes |
| water, slightly | Yes |
| water, 955 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| sweet, fruity, floral, honey, fig, rose, nutty | |
| General comment | At 100.00 %. sweet fruity floral honey fig rose nutty |
Potential Uses
Safety Information
Safety information
| 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: | |
| gavage-rat LD50 [sex: M,F] 2150 mg/kg (Piccirillo & Hartman, 1980b) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for 1-acetyl cyclohexyl acetate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (μg/capita/day) | ||
| 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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.20000 | |
| beverages(nonalcoholic): | - | 0.20000 | |
| beverages(alcoholic): | - | 0.20000 | |
| breakfast cereal: | - | 0.50000 | |
| cheese: | - | - | |
| chewing gum: | - | 0.50000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 0.20000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | 0.10000 | |
| gelatins / puddings: | - | 0.20000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.50000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 0.10000 | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | 0.10000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 0.50000 | |
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6 View page or View pdf |
| Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62017 |
| National Institute of Allergy and Infectious Diseases:Data |
| (1-acetylcyclohexyl) acetate |
| Chemidplus:0052789738 |