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allyl cyclohexyl propionate

Chemical Structure

General Material Information

Preferred name allyl cyclohexyl propionate
Trivial Name Allyl cyclohexanepropionate
Short Description allyl cyclohexanepropionate
Formula C12 H20 O2
CAS Number 2705-87-5
FEMA Number 2026
ECHA Number 220-292-5
FDA UNII H4W9H3L241
Nikkaji Number J3.039B
Beilstein Number 2254663
MDL MFCD00059557
COE Number 2223
xLogP3-AA 3.80 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 13 allyl cyclohexane propionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2705-87-5 ; ALLYL CYCLOHEXANEPROPIONATE
Synonyms
  • 2-propen-1-yl cyclohexane propionate
  • 2-propen-1-yl cyclohexanepropionate
  • 2-propenyl 3-cyclohexyl propanoate
  • 2-propenyl 3-cyclohexylpropanoate
  • 2-propenyl cyclohexane propanoate
  • 2-propenyl cyclohexanepropanoate
  • 2-Propenyl 3-cyclohexylpropanoate
  • 2-Propenyl cyclohexanepropionate
  • 3-allyl cyclohexanol propionate
  • 3-allyl cyclohexyl propionate
  • allyl 3-cyclohexyl propionate
  • allyl 3-cyclohexylpropanoate
  • allyl 3-cyclohexylpropionate
  • allyl beta-cyclohexyl propionate
  • allyl beta-cyclohexylpropionate
  • allyl cyclo hexyl propionate
  • allyl cyclohexane propionate
  • Allyl cyclohexanepropanoate
  • allyl cyclohexanepropionate
  • allyl cyclohexyl propanoate
  • allyl cyclohexyl propionate FCC
  • allyl cyclohexylpropionate
  • allyl cyclohexylpropionate FCC
  • allyl hexahydrophenyl propionate
  • allyl hexahydrophenylpropionate
  • Ananolide
  • cyclohexane propanoic acid 2-propenyl ester
  • cyclohexane propionic acid allyl ester
  • cyclohexanepropanoic acid 2-propenyl ester
  • cyclohexanepropanoic acid, 2-propen-1-yl ester
  • cyclohexanepropanoic acid, 2-propenyl ester
  • cyclohexanepropionic acid, allyl ester
  • pineapple ester,allyl cyclohexylpropionate
  • prop-2-en-1-yl 3-cyclohexylpropanoate
  • prop-2-enyl 3-cyclohexylpropanoate

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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C12306
HMDB (The Human Metabolome Database):HMDB40206
FooDB:FDB019918
Export Tariff Code:2916.20.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 196.28979492188
Specific gravity @ 25 °C
Pounds per Gallon 7.863 to 7.905
Specific gravity @ 20 °C
Pounds per Gallon 7.881 to 7.947
Refractive Index 1.457 to 1.462 @ 20 °C
Boiling Point 264 to 265°C @ 760 mm Hg
Acid Value 5 max KOH/g
Vapor Pressure 0.009 mmHg @ 25 °C
Flash Point TCC Value 91 °C TCC
logP (o/w) 4.081 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
essential oils Yes
ethyl alcohol, 1:4 in 80% alcohol Yes
water, 6.949 mg/L @ 25 °C (est) Yes
water No
glycerin No
Stability
detergent Unspecified
moderate in soap and detergent Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Fruity
sweet, pineapple, tropical, fruity, candy, waxy, apple, green
Odor strength medium
Substantivity 251 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 100.00 %. sweet pineapple tropical fruity candy waxy
Mosciano, Gerard P&F 15, No. 3, 51, (1990) Sweet, fruity, pineapple, waxy, apple and green
Flavor Type: Fruity
fruity, pineapple, waxy, green, sweet, apple
Mosciano, Gerard P&F 15, No. 3, 51, (1990) At 30.00 ppm. Fruity, pineapple, waxy, with green sweet apple nuances
Useful in: fruity yellow, fruity tropical, fruity others. Estery, green, fruity, pineapple

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Acute toxicity, Oral (Category 4), H302
Acute toxicity, Inhalation (Category 4), H332
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H302 - Harmful if swallowed
H312 - Harmful in contact with skin
H332 - Harmful if inhaled
Precautionary statement(s)
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P271 - Use only outdoors or in a well-ventilated area.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P312 - Call a POISON CENTER or doctor/physician if you feel unwell.
P322 - Specific measures (see supplemental first aid instructions on this label).
P330 - Rinse mouth.
P363 - Wash contaminated clothing before reuse.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
4 % solution: non-sensitising.
Oral/Parenteral Toxicity:
oral-rat LD50 585 mg/kg
SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

oral-guinea pig LD50 380 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BLOOD: HEMORRHAGE
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

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 propionate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 96.57 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 110.00 (μg/capita/day)
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: -7.10000
beverages(nonalcoholic): -3.70000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -30.00000
condiments / relishes: --
confectionery froastings: -0.20000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.10000
fruit ices: -3.10000
gelatins / puddings: -7.70000
granulated sugar: --
gravies: --
hard candy: -13.00000
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: -0.20000
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):2705-87-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :17617
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:2
prop-2-enyl 3-cyclohexylpropanoate
Chemidplus:0002705875
RTECS:GV6735000 for cas# 2705-87-5