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allyl heptanoate

Chemical Structure

General Material Information

Preferred name allyl heptanoate
Trivial Name Allyl heptanoate
Short Description heptanoic acid, 2-propenyl ester
Formula C10 H18 O2
CAS Number 142-19-8
FEMA Number 2031
Flavis Number 9.097
ECHA Number 205-527-1
FDA UNII AU4CYG9V68
Nikkaji Number J36.956J
MDL MFCD00038341
COE Number 369
xLogP3-AA 3.20 (est)
NMR Predictor External link
JECFA Food Flavoring 4 allyl heptanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 142-19-8 ; ALLYL HEPTANOATE
Synonyms
  • allyl enanthate
  • nat. allyl heptanoate
  • allyl heptoate
  • allyl heptoate ( allyl heptanoate )
  • allyl heptoate FCC
  • allyl heptoate FCC natural
  • allyl heptoate natural
  • allyl heptylate
  • allyl oenanthate
  • heptanoic acid 2-propenyl ester
  • heptanoic acid allyl ester
  • heptanoic acid, 2-propen-1-yl ester
  • heptanoic acid, 2-propenyl ester
  • heptanoic acid, allyl ester
  • prop-2-enyl heptanoate
  • 2-propenyl heptanoate
  • 2-Propenyl heptanoate
  • NSC 20969

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40208
FooDB:FDB019920
Export Tariff Code:2915.90.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 170.25186157227
Specific gravity @ 25 °C
Pounds per Gallon 7.322 to 7.364
Refractive Index 1.426 to 1.43 @ 20 °C
Boiling Point 210 to 212°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.16 mmHg @ 25 °C
Flash Point TCC Value 82.22 °C TCC
logP (o/w) 3.637 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
alcohol Yes
water, 63 mg/L @ 20 °C (exp) Yes
water No
Stability
soap Unspecified

Organoleptic Properties

Odor Type: Fruity
sweet, pineapple, fruity, waxy, banana, fusel, cognac, ripe, fermented
Odor strength medium
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (1990) At 100.00 %. sweet pineapple fruity waxy banana fusel cognac
Mosciano, Gerard P&F 17, No. 1, 41, (1992) Sweet, pineapple-like, fruity with a slight waxy ripe fermented note
Flavor Type: Fruity
banana, fruity, pineapple, waxy, tropical
General comment Banana
Mosciano, Gerard P&F 17, No. 1, 41, (1992) At 10.00 ppm. Fruity, pineapple-like with a waxy tropical nuance
Can be used in pineapple, apple, sour cherry, tropical, pear, papaya and orange juice flavors. Fruity
Useful in: fruity tropical, fruity others. Green, fruity, pineapple, pear

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn N - Harmful, Dangerous for the environment.
R 21/22 - Harmful in contact with skin and if swallowed.
R 38 - Irritating to skin.
R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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)
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 500 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA
Toxicology and Applied Pharmacology. Vol. 6, Pg. 378, 1964.

oral-mouse LD50 630 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Toxicology and Applied Pharmacology. Vol. 7, Pg. 18, 1965.

oral-guinea pig LD50 444 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Dermal Toxicity:
skin-rabbit LD50 810 mg/kg
Food and Cosmetics Toxicology. Vol. 15, Pg. 619, 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 heptanoate usage levels up to:
4.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 12.92 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 28.00 (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: -6.40000
beverages(nonalcoholic): -1.30000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -86.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.70000
fruit ices: -2.70000
gelatins / puddings: -2.90000
granulated sugar: --
gravies: --
hard candy: -6.40000
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

Safety and efficacy of 26 compounds belonging to chemical group 3 (a,ß-unsaturated straight-chain and branched-chain aliphatic primary alcohols, aldehydes, acids and esters) when used as flavourings for all animal species and categories
View page or View pdf

Safety of 31 flavouring compounds belonging to different chemical groups when used as feed additives for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):142-19-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8878
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WISER:UN 2810
WGK Germany:3
prop-2-enyl heptanoate
Chemidplus:0000142198
RTECS:MJ1750000 for cas# 142-19-8