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allyl cyclohexyl acetate

Chemical Structure

General Material Information

Preferred name allyl cyclohexyl acetate
Trivial Name Allyl cyclohexylacetate
Short Description prop-2-enyl 2-cyclohexylacetate
Formula C11 H18 O2
CAS Number 4728-82-9
FEMA Number 2023
Flavis Number 9.482
ECHA Number 225-230-0
FDA UNII M6J8835739
Nikkaji Number J34.001D
Beilstein Number 2575626
COE Number 2070
xLogP3-AA 3.40 (est)
NMR Predictor External link
JECFA Food Flavoring 12 allyl cyclohexane acetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 4728-82-9 ; ALLYL CYCLOHEXANEACETATE
Synonyms
  • 2-propen-1-yl cyclohexane acetate
  • 2-propenyl cyclohexane acetate
  • allyl cyclohexane acetate
  • allyl cyclohexaneacetate
  • allyl cyclohexylacetate
  • allyl hexahydrophenyl acetate
  • cyclohexane acetic acid 2-propenyl ester
  • cyclohexane acetic acid allyl ester
  • cyclohexaneacetic acid, 2-propen-1-yl ester
  • cyclohexyl acetic acid allyl ester
  • cyclohexylacetic acid allyl ester
  • prop-2-enyl 2-cyclohexylacetate
  • Cyclohexaneacetic acid, allyl ester
  • Cyclohexaneacetic acid, 2-propenyl ester

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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):HMDB40595
FooDB:FDB020381
Export Tariff Code:2915.39.9050
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 182.26286315918
Specific gravity @ 25 °C
Pounds per Gallon 7.863 to 8.03
Refractive Index 1.455 to 1.499 @ 20 °C
Boiling Point 60 to 63°C @ 1 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.027 mmHg @ 25 °C
Flash Point TCC Value 98.33 °C TCC
logP (o/w) 3.585 est
Solubility
alcohol Yes
water, 21.44 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
sweet, ripe, fruity, pineapple, green, peach, apricot, waxy
Luebke, William tgsc, (1992) At 100.00 %. sweet ripe fruity pineapple green peach apricot
Mosciano, Gerard P&F 16, No. 2, 49, (1991) Sweet, ripe fruity, pineapple with a green waxy nuance
Flavor Type: Fruity
pineapple, sweet, ripe, fruity
Mosciano, Gerard P&F 16, No. 2, 49, (1991) At 15.00 ppm. Pineapple, with a sweet ripe fruity nuance

Potential Uses

Applications
Odor purposes Apricot, Banana, Coconut, Peach, Pina colada, Pineapple, Valerian
Flavoring purposes Cheese, Valerian
Cosmetic purposes Perfuming agents

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:
oral-rat LD50 900 mg/kg
Food and Cosmetics Toxicology. Vol. 15, Pg. 617, 1977.

Dermal Toxicity:
skin-rabbit LD50 1250 mg/kg
Food and Cosmetics Toxicology. Vol. 15, Pg. 617, 1977.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
IFRA Purity Specification:
Recommendation for allyl cyclohexyl acetate usage levels up to:
6.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.01 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):
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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -4.00000
beverages(nonalcoholic): -1.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.60000
fruit ices: -1.60000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -3.50000
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: --
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):

EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):4728-82-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :22034852
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
prop-2-enyl 2-cyclohexylacetate
Chemidplus:0004728829