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allyl cyclohexyl hexanoate

Chemical Structure

General Material Information

Preferred name allyl cyclohexyl hexanoate
Trivial Name 2-Propen-1-yl cyclohexanehexanoate
Short Description allyl cyclohexanehexanoate
Formula C15 H26 O2
CAS Number 7493-66-5
FEMA Number 2025
Flavis Number 9.492
FDA UNII SPW8K04M0V
Nikkaji Number J1.536.426B
COE Number 2180
xLogP3-AA 5.40 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 16 allyl cyclohexane hexanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7493-66-5 ; ALLYL CYCLOHEXANEHEXANOATE
Synonyms
  • allyl 6-cyclohexane hexanoate
  • allyl 6-cyclohexanehexanoate
  • allyl cyclohexane caproate
  • allyl cyclohexane hexanoate
  • allyl cyclohexanecaproate
  • allyl cyclohexanehexanoate
  • allyl cyclohexyl caproate
  • allyl cyclohexylhexanoate
  • allyl hexahydrophenyl hexanoate
  • cyclohexane hexanoic acid 2-propenyl ester
  • cyclohexane hexanoic acid allyl ester
  • cyclohexanehexanoic acid, 2-propenyl ester
  • cyclohexanehexanoic acid, allyl ester
  • prop-2-enyl 6-cyclohexyl hexanoate
  • prop-2-enyl 6-cyclohexylhexanoate
  • 2-propen-1-yl cyclohexane caproate
  • 2-propen-1-yl cyclohexanecaproate
  • 2-propenyl cyclohexane hexanoate
  • 2-propenyl cyclohexanehexanoate
  • Cyclohexanehexanoic acid, 2-propen-1-yl ester
  • 2-Propen-1-yl cyclohexanehexanoate
  • NSC 8255

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):HMDB37195
FooDB:FDB016197
ChemSpider:View

Suppliers

Parchem

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 238.37062072754
Specific gravity @ 25 °C
Pounds per Gallon 7.83 to 7.048
Vapor Pressure 0.00038 mmHg @ 25 °C
Flash Point TCC Value 136.11 °C TCC
logP (o/w) 5.609 est
Solubility
alcohol Yes
oils Yes
water, 0.23 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

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

Potential Uses

Applications
Odor purposes Grape
Flavoring purposes Brandy

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 hexanoate usage levels up to:
5.0000 % 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: -8.50000
beverages(nonalcoholic): -1.40000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.30000
fruit ices: -3.30000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -8.00000
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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61406
National Institute of Allergy and Infectious Diseases:Data
prop-2-enyl 6-cyclohexylhexanoate
Chemidplus:0007493665