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1-acetyl cyclohexyl acetate

Chemical Structure

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
  • 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
  • (1-acetylcyclohexyl) acetate
  • 1-[1-(Acetyloxy)cyclohexyl]ethanone
  • 1-Acetoxy-1-acetylcyclohexane
  • 1-Acetoxycyclohexyl methyl ketone
  • 1-Acetylcyclohexyl acetate

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
Publications by US Patents
Process for enhancing the organoleptic properties of perfumed articles using alkyl esters of 1-alkanolyl cycloalkanols
Alkyl esters of 1-alkanoyl cycloalkanols and organoleptic uses thereof

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

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

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 ppmaverage 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