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1-acetyl cyclohexyl acetate
1-acetyl cyclohexyl acetate is a methyl 1-acetoxycyclohexyl ketone used as a flavoring agent with sweet, fruity, floral odor characteristics.
General Material Description
1-acetyl cyclohexyl acetate, also known as methyl 1-acetoxycyclohexyl ketone (PubChem CID: 62017), is a synthetic organic compound with the molecular formula C10H16O3. The compound typically appears as a clear, colorless to pale liquid and exhibits complex floral, sweet, and fruity odor characteristics reminiscent of honey, rose, and fig. This odor profile makes it valuable in flavoring formulations. It is characterized by numerous synonyms reflecting variations in naming conventions, but all refer to the same chemical entity. The compound is often derived through chemical synthesis for use in flavor applications rather than obtained from natural sources.
Occurrence, Applicability & Potential Uses
Although 1-acetyl cyclohexyl acetate does not naturally occur in biological systems, it is widely employed in flavoring applications regulated under FEMA (US) standards, where it is assigned FEMA number 3701. Its organoleptic profile supports its use in imparting almond, berry, floral, and honey-like notes in foods. The compound finds application in beverage flavorings, baked goods, confectionery, and fruit-based products, among others. Its versatility extends to mimicking natural aromas such as boronia, cassie, elderflower, and osmanthus. Regulatory approval under IFRA (Global) and REACH (EU) frameworks allows controlled use in food flavors, ensuring compliance with safety limits.
Physico-Chemical Properties Summary
1-acetyl cyclohexyl acetate exhibits moderate volatility with a vapor pressure around 0.022 mmHg at 25 °C, indicating limited evaporation under ambient conditions. Its specific gravity ranges from 1.04 to 1.05 at 25 °C, and refractive index falls between 1.46 and 1.47 at 20 °C, which are typical for ester compounds of this class. The estimated logP of approximately 1.74 suggests moderate lipophilicity, impacting its solubility profile where it is soluble in alcohol and slightly soluble in water (estimated at roughly 955 mg/L at 25 °C). The flash point near 103 °C (217 °F) indicates low flammability under normal use. These physicochemical features influence formulation behavior, stability, and aroma release in flavor products.
FAQ
What is 1-acetyl cyclohexyl acetate and what are its primary uses?
1-acetyl cyclohexyl acetate is a synthetic ester known for its sweet, fruity, and floral aroma resembling honey, rose, and fig notes. It is primarily used as a flavoring agent to impart almond, berry, and floral characteristics in various food products including beverages, baked goods, and confectionery. Its complex scent profile makes it valuable for recreating or enhancing natural fruit and floral flavors in formulations.
How is 1-acetyl cyclohexyl acetate typically applied, and where is it sourced from?
This compound is mainly applied in the flavor industry under regulatory standards such as FEMA (US) for use in non-alcoholic and alcoholic beverages, breakfast cereals, soft candy, and fruit-flavored products. It is chemically synthesized and does not occur naturally in significant amounts. Its production involves organic synthesis routes designed to yield consistent quality suitable for flavor formulations.
What regulatory guidelines exist for the safe use of 1-acetyl cyclohexyl acetate in flavorings?
1-acetyl cyclohexyl acetate is evaluated and regulated under FEMA (US), IFRA (Global), and REACH (EU) guidelines. FEMA assigns it the number 3701, approving its use as a flavoring substance with specific maximum usage levels in various food categories. Safety assessments indicate no significant hazards under normal conditions of use, with toxicity data showing an oral LD50 in rats of 2150 mg/kg. It is generally recognized as safe (GRAS) for flavor applications within established concentration limits.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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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 |
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 |
|
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 |