Articles:
methyl 1-acetoxycyclohexyl ketone
Notes:
Flavourant for food and tobacco
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| CAS Number: | 52789-73-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 258-186-6 | |
| FDA UNII: | 987IZ840TA | |
| Nikkaji Web: | J295.802C | |
| XlogP3-AA: | 1.50 (est) | |
| Molecular Weight: | 184.23512000 | |
| Formula: | C10 H16 O3 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 442 methyl 1-acetoxycyclohexyl ketone |
| FEMA Number: | 3701 methyl 1-acetoxycyclohexyl ketone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 52789-73-8 ; METHYL 1-ACETOXYCYCLOHEXYL KETONE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.04000 to 1.05000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.654 to 8.737 |
| Refractive Index: | 1.46000 to 1.47000 @ 20.00 °C. |
| Boiling Point: | 67.00 °C. @ 3.00 mm Hg |
| Vapor Pressure: | 0.022000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 217.00 °F. TCC ( 102.78 °C. ) |
| logP (o/w): | 1.741 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 955 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| hydroxycyclohexyl methyl ketone | |
Organoleptic Properties:
| Odor Type: floral | |
| sweet fruity floral honey fig rose nutty | |
| Odor Description: at 100.00 %. | sweet fruity floral honey fig rose nutty |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| Ethanone,1-[1-(acetyloxy)cyclohexyl]- |
| BOC Sciences |
| For experimental / research use only. |
| 1-acetylcyclohexyl acetate |
| Parchem |
| 1-acetyl cyclohexyl acetate |
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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alicyclic substances used as flavor ingredients. View pdf | |
| 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 |
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 |
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 1- | acetoxy-1-acetyl cyclohexane |
| 1- | acetoxy-1-acetylcyclohexane |
| 1- | acetoxycyclohexyl acetate |
| 1- | acetoxycyclohexyl methyl ketone |
| (1- | acetyl cyclohexyl) acetate |
| 1-(1-( | acetyl oxy)cyclohexyl) ethanone |
| 1- | acetylcyclohexyl acetate |
| (1- | acetylcyclohexyl) acetate |
| 1-(1-( | acetyloxy)cyclohexyl)ethanone |
| ethanone, 1-(1-(acetyloxy)cyclohexyl)- | |
| ethanone, 1-[1-(acetyloxy)cyclohexyl]- | |
| 1- | hydroxycyclohexyl methyl ketone acetate |
| ketone, 1-hydroxycyclohexyl methyl, acetate | |
| methyl 1-acetoxycyclohexyl ketone |