allyl 2-ethyl butyrate

Allyl 2-ethyl butyrate is an ester with the molecular formula C₉H₁₆O₂ known for its medium-strength fruity odor characterized by nuances of nut, fruit, peach pit, and cherry pit. It appears as a volatile liquid commonly used in flavoring and fragrance formulations. This compound is also registered under various synonyms including allyl 2-ethylbutanoate, prop-2-enyl 2-ethylbutanoate, and butyric acid, 2-ethyl-, allyl ester. Referenced in databases such as PubChem, allyl 2-ethyl butyrate is typically derived through esterification processes involving 2-ethyl butyric acid and allyl alcohol. Its distinctive sensory properties derive from its chemical structure, making it valuable in replicating fruity and nutty notes.

Allyl 2-ethyl butyrate naturally occurs as a minor constituent in certain fruits contributing to their characteristic aroma profiles. Its application is primarily as a flavor and fragrance agent where it imparts cherry, peach, and tropical fruit notes. The compound is widely utilized in beverages, confectionery, gelatins, and soft candies to enhance fruitiness and add depth to flavor blends. Regulatory bodies including FEMA (US) recognize it under FEMA number 2029, supporting its use within defined concentration limits. Additionally, IFRA (Global) guidelines recommend maximum use levels up to 4% in fragrance concentrates to ensure safety during application.

Allyl 2-ethyl butyrate exhibits physicochemical properties important for formulation chemists, including a molecular weight of approximately 156.22 g/mol and estimated logP near 3. It is a volatile liquid with a boiling range from 165 to 167 °C at atmospheric pressure and displays a moderate vapor pressure of 0.641 mmHg at 25 °C. The compound has a flash point of 54 °C (130 °F) indicating flammability concerns during handling. Specific gravity ranges between 0.882 and 0.887 at 25 °C, and refractive index measures from 1.422 to 1.427 at 20 °C. While soluble in alcohols and slightly soluble in water, it is generally insoluble in pure water. These properties influence its stability, evaporation rate, and solubility in various product matrices.

(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

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 ppm	average maximum ppm
baked goods:		-	-
beverages(nonalcoholic):		0.50000	1.00000
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