isopropyl 2-methyl butyrate

General Material Information

Preferred name	isopropyl 2-methyl butyrate
Trivial Name	Isopropyl 2-methylbutanoate
Short Description	isopropyl 2-methylbutyrate
Formula	C8 H16 O2
CAS Number	66576-71-4
FEMA Number	3699
Flavis Number	9.547
ECHA Number	266-411-4
FDA UNII	3429OS9G6T
Nikkaji Number	J183.079A
MDL	MFCD00085203
xLogP3-AA	2.30 (est)
NMR Predictor	External link
JECFA Food Flavoring	210 isopropyl 2-methylbutyrate
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	66576-71-4 ; ISOPROPYL 2-METHYLBUTYRATE
Synonyms	butanoic acid, 2-methyl-, 1-methylethyl ester butyric acid, 2-methyl-, 1-methylethyl ester 1-methyl ethyl 2-methyl butanoate 1-methylethyl 2-methylbutanoate propan-2-yl 2-methylbutanoate iso propyl 2 methyl butyrate iso propyl 2-methyl butanoate iso propyl 2-methylbutanoate iso propyl 2-methylbutyrate iso propyl methyl-2-butyrate iso- propyl-2-methylbutyrate strawberry butyrate Isopropyl 2-methylbutanoate 2-Methylbutanoic acid 1-methylethyl ester Isopropyl 2-methylbutyrate 1-Methylethyl 2-methylbutanoate

(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):	HMDB39217
FooDB:	FDB018749
Export Tariff Code:	2915.90.5050
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Augustus Oils	Berjé
BOC Sciences	Ernesto Ventós
Givaudan	Global Essence
Grau Aromatics	Indukern F&F
Inoue Perfumery	Keva
Lluch Essence	Miltitz Aromatics
Moellhausen	Pell Wall Perfumes
Penta International	Reincke & Fichtner
Santa Cruz Biotechnology	Sigma-Aldrich
SRS Aromatics	Synerzine
TCI AMERICA	The Perfumers Apprentice
Vigon International	Augustus Oils Ltd
Global Essence Inc.	Indukern, S.A. F&F Ingredients Division
Penta International Corporation	SRS Aromatics Ltd
Taytonn ASCC	Ernesto Ventós S.A.

Material listed in food chemical codex	No
Molecular weight	144.21391296387
Specific gravity	@ 25 °C
Pounds per Gallon	7.048 to 7.098
Refractive Index	1.393 to 1.399 @ 20 °C
Boiling Point	140 to 144°C @ 727 mm Hg
Acid Value	1 max KOH/g
Vapor Pressure	5.102 mmHg @ 25 °C
Vapor Density	4.9
Flash Point TCC Value	32.78 °C TCC
logP (o/w)	2.511 est
Solubility
alcohol	Yes
water, 412.1 mg/L @ 25 °C (est)	Yes
water	No
Stability
alcoholic	Good
powder detergent	Good
soap	Good
toiletry	Good
antiperspirant spray	Moderate
liquid bleach	Poor

Odor Type: Fruity
fruity, green, ethereal, dusty, tutti frutti, tropical, coconut, herbal, sweet, oily, pineapple
Odor strength	medium
Substantivity	< 1 hour(s) at 100.00 %
Luebke, William tgsc, (2021)	At 100.00 %. fruity green ethereal dusty tutti frutti tropical coconut herbal
Mosciano, Gerard P&F 18, No. 3, 53, (1993)	Fruity, sweet, green, oily, etherial and lifting, tropical with a pineapple nuance
Flavor Type: Fruity
fruity, green, ethereal, apple skin, pineapple, tutti frutti, chamomile, citrus, sweet, apple
Luebke, William tgsc, (2021)	Fruity green ethereal apple skin pineapple tutti frutti chamomile citrus
Mosciano, Gerard P&F 18, No. 3, 53, (1993)	At 10.00 ppm. Fruity, sweet, apple, pineapple, green, with tutti frutti citrus nuances
General comment	Fresh fruity, sweet; apple, pineapple, tutti frutti with citrus nuances
In flavors it enhances the natural impression in pineapple, apple, strawberry, citrus, berry and tropical compositions.	Sweet-fruity, with pineapple and citrus nuances

Applications	flavor and fragrance agents
Odor purposes	Apple , Berry , Citrus , Green , Pear , Pineapple , Strawberry , Valerian
Flavoring purposes	Fruit tropical fruit , Valerian

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.

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

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
Recommendation for isopropyl 2-methyl butyrate usage levels up to:
	2.0000 % in the fragrance concentrate.

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: 13
Click here to view publication 13
		average usual ppm	average maximum ppm
baked goods:		-	10.00000
beverages(nonalcoholic):		-	5.00000
beverages(alcoholic):		-	-
breakfast cereal:		-	10.00000
cheese:		-	-
chewing gum:		-	20.00000
condiments / relishes:		-	-
confectionery froastings:		-	10.00000
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	10.00000
fruit ices:		-	15.00000
gelatins / puddings:		-	10.00000
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	15.00000
imitation dairy:		-	10.00000
instant coffee / tea:		-	-
jams / jellies:		-	5.00000
meat products:		-	-
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	1.00000
snack foods:		-	20.00000
soft candy:		-	15.00000
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	5.00000