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allyl cyclohexyl butyrate

Chemical Structure

General Material Information

Preferred name allyl cyclohexyl butyrate
Trivial Name Allyl cyclohexanebutyrate
Short Description prop-2-enyl 4-cyclohexylbutanoate
Formula C13 H22 O2
CAS Number 7493-65-4
FEMA Number 2024
Flavis Number 9.411
FDA UNII 9JIF47RD7B
Nikkaji Number J421.862K
COE Number 283
xLogP3-AA 4.30 (est)
NMR Predictor External link
JECFA Food Flavoring 14 allyl cyclohexane butyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7493-65-4 ; ALLYL CYCLOHEXANEBUTYRATE
Synonyms
  • allyl 4-cyclohexyl butyrate
  • allyl 4-cyclohexylbutyrate
  • allyl cyclohexane butyrate
  • allyl cyclohexanebutyrate
  • allyl hexahydrophenyl butyrate
  • cyclohexane butanoic acid 2-propenyl ester
  • cyclohexane butyric acid allyl ester
  • cyclohexanebutanoic acid, 2-propenyl ester
  • cyclohexanebutyric acid, allyl ester
  • prop-2-enyl 4-cyclohexylbutanoate
  • 2-propen-1-yl cyclohexane butyrate
  • 2-propen-1-yl cyclohexanebutyrate
  • 2-propenyl cyclohexane butanoate
  • 2-propenyl cyclohexanebutanoate
  • Cyclohexanebutanoic acid, 2-propen-1-yl 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):HMDB38291
FooDB:FDB017620
Export Tariff Code:2915.60.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 210.31674194336
Specific gravity @ 25 °C
Pounds per Gallon 7.847 to 7.897
Vapor Pressure 0.003 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 4.59 est
Solubility
alcohol Yes
essential oils Yes
flavor chemicals Yes
propylene glycol, slightly Yes
water, 2.241 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fatty, fruity, pineapple
General comment At 100.00 %. fatty fruity pineapple

Potential Uses

Applications
Odor purposes Butter, Pineapple
Flavoring purposes Fruit tropical fruit, Tropical

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:
Not determined
Dermal Toxicity:
Not determined
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 butyrate usage levels up to:
8.0000 % 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: -3.80000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.40000
fruit ices: -1.40000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -3.30000
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):7493-65-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61405
National Institute of Allergy and Infectious Diseases:Data
prop-2-enyl 4-cyclohexylbutanoate
Chemidplus:0007493654