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allyl 2-ethyl butyrate

Chemical Structure

General Material Information

Preferred name allyl 2-ethyl butyrate
Trivial Name Allyl 2-ethylbutyrate
Short Description allyl 2-ethylbutyrate
Formula C9 H16 O2
CAS Number 7493-69-8
FEMA Number 2029
Flavis Number 9.41
ECHA Number 231-332-6
FDA UNII T7177XGV3Q
Nikkaji Number J307.835C
MDL MFCD00036523
COE Number 281
xLogP3-AA 2.50 (est)
NMR Predictor External link
JECFA Food Flavoring 11 allyl 2-ethylbutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7493-69-8 ; ALLYL 2-ETHYLBUTYRATE
Synonyms
  • allyl 2-ethylbutanoate
  • allyl 2-ethylbutyrate
  • allyl-2-ethyl butyrate
  • butanoic acid, 2-ethyl-, 2-propenyl ester
  • butyric acid, 2-ethyl-, 2-propenyl ester
  • butyric acid, 2-ethyl-, allyl ester
  • 2-ethyl butanoic acid 2-propenyl ester
  • 2-ethyl butyric acid 2-propenyl ester
  • 2-ethyl butyric acid allyl ester
  • prop-2-enyl 2-ethylbutanoate
  • 2-propen-1-yl 2-ethyl butyrate
  • 2-propen-1-yl 2-ethylbutyrate
  • 2-propenyl 2-ethyl butanoate
  • 2-propenyl 2-ethyl butyrate
  • 2-propenyl 2-ethylbutanoate
  • 2-propenyl 2-ethylbutyrate
  • Butanoic acid, 2-ethyl-, 2-propen-1-yl ester
  • NSC 32637
  • 2-Ethylbutanoate-2-propene ester
  • 2-Ethyl-butyric acid allyl 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):HMDB36208
FooDB:FDB015066
Export Tariff Code:2915.60.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 156.22491455078
Specific gravity @ 25 °C
Pounds per Gallon 7.339 to 7.381
Refractive Index 1.422 to 1.427 @ 20 °C
Boiling Point 58 to 60°C @ 6 mm Hg
Boiling Point 165 to 167°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.641 mmHg @ 25 °C
Flash Point TCC Value 54.44 °C TCC
logP (o/w) 2.972 est
Solubility
alcohol Yes
water, 157.3 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
nutty, fruity, peach, cherry, ethereal
Odor strength medium , recommend smelling in a 1.00 % solution or less
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 1.00 % in dipropylene glycol. nut fruit peach-pit cherry-pit ethereal
Flavor Type: Ethereal
ethereal, fruity, green, nutty, hazelnut, seedy, macadamia, nut flesh
Luebke, William tgsc, (1987) Ethereal fruity green nutty hazelnut seedy macadamia nut flesh

Potential Uses

Applications
Odor purposes Fruit
Flavoring purposes Cherry, Fruit tropical fruit, Peach

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
T - Toxic.
R 10 - Flammable.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 40/20/21 - Harmful: possible risks of irreversable effects through inhalation and in contact with skin.
S 02 - Keep out of the reach of children.
S 03/07 - Keep container tightly closed in cool place.
S 16 - Keep away from sources of ignition - No Smoking.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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:
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 2-ethyl butyrate usage levels up to:
4.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.01 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.02 (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: --
beverages(nonalcoholic): 0.500001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: -1.00000
granulated sugar: --
gravies: --
hard candy: -2.00000
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 Substance Registry Services (TSCA):7493-69-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61408
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:3
prop-2-enyl 2-ethylbutanoate
Chemidplus:0007493698