Isobutyl 3-oxobutanoate

Name	Butanoic acid, 3-oxo-, 2-methylpropyl ester
Synonyms	ACIB Isobutyl acetoacetate isobutyl 3-oxobutanoate Isobutyl 3-oxobutanoate ACETOACETIC ACID ISOBUTYL ESTER 3-Oxobutyric acid isobutyl ester 3-Oxobutanoic acid isobutyl ester 3-oxo-butanoicaci2-methylpropylester Acetoacetic acid 2-methylpropyl ester Butanoic acid, 3-oxo-, 2-methylpropyl ester
CAS	7779-75-1
EINECS	231-937-5
InChI	InChI=1/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3

Molecular Formula	C8H14O3
Molar Mass	158.2
Density	0.98 g/mL at 25 °C (lit.)
Melting Point	177-179 °C(Solv: ethyl ether (60-29-7))
Boling Point	100 °C/22 mmHg (lit.)
Flash Point	173°F
JECFA Number	597
Vapor Presure	0.342mmHg at 25°C
Appearance	liquid
Color	clear
BRN	1761405
pKa	10?+-.0.46(Predicted)
Storage Condition	Sealed in dry,Store in freezer, under -20°C
Refractive Index	n20/D 1.424(lit.)
Physical and Chemical Properties	Colorless liquid. Sweet brandy, fruity and fruity flavors. Boiling point 196 ℃ or 84.5 ℃(1466Pa). Insoluble in water, soluble in ethanol and grease.
Use	For Organic synthesis

WGK Germany	3
Toxicity	GRAS(FEMA)。

toxicity	GRAS(FEMA).
usage limit	FEMA(mg/kg): beverage 4.0; Cold drink 7.0; Candy and baked goods 25.0. FDA,§ 172.515(2000): The right amount is limited.
chemical properties	colorless liquid. Sweet brandy, fruity and fruity flavors. Boiling point 196 ℃ or 84.5 ℃(1466Pa). Insoluble in water, soluble in ethanol and grease.
use	food spices. used in organic synthesis
production method	obtained by heating isobutyl acetate in the presence of sodium isobutyrate.
NIST chemical information	The information is: webbook.nist.gov provides (external link)
EPA chemical information	The information is: offered by ofmpub.epa.gov (external link)