Isobutyl acetoacetate Property

Melting point:

177-179 °C(Solv: ethyl ether (60-29-7))

Boiling point:

100 °C/22 mmHg (lit.)

Density 

0.98 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.424(lit.)

FEMA 

2177 | ISOBUTYL ACETOACETATE

Flash point:

173 °F

storage temp. 

Sealed in dry,Store in freezer, under -20°C

pka

10?+-.0.46(Predicted)

form 

liquid

color 

clear

Odor

at 10.00 % in dipropylene glycol. sweet wine brandy fruity

Odor Type

fruity

JECFA Number

597

BRN 

1761405

LogP

1.60

CAS DataBase Reference

7779-75-1(CAS DataBase Reference)

NIST Chemistry Reference

Butanoic acid, 3-oxo-, 2-methylpropyl ester(7779-75-1)

EPA Substance Registry System

Butanoic acid, 3-oxo-, 2-methylpropyl ester (7779-75-1)

Safety

WGK Germany 

3

HS Code 

2918.30.9000

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H227Combustible liquid

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P370+P378In case of fire: Use … for extinction.

P403+P235Store in a well-ventilated place. Keep cool.

P501Dispose of contents/container to..…

Isobutyl acetoacetate Chemical Properties,Usage,Production

Description

Isobutyl acetoacetate has a sweet, winey, brandy-like odor and a sweet and slightly fruity flavor. May be prepared from isobutyl acetate by heating in the presence of sodium isobutylate.

Chemical Properties

Isobutyl acetoacetate has a sweet, winy, brandy-like odor and a sweet and slightly fruity flavor.

Chemical Properties

Isobutyl acetoacetate is a clear colorless liquid. Insoluble in water, soluble in alcohol and oils. B.P. approximately 196℃. The odor is somewhat fresher, not as "fermented" as that of the n-But yiester, while the taste of the iso-Butylester is somewhat less sweet. In general, the former is preferred for “winey” effects, while this (latter) is preferred for fruity effects, and partly as a fixative for the more volatile esters used in hard candy flavoring etc. Concentrations are usually around 25 ppm.

Uses

Isobutyl acetoacetate is used as intermediate for the production of pharmaceuticals (e.g. Nisoldipine). Product Data Sheet

Uses

Isobutyl Acetoacetate is a building block that has been used as a reactant in the preparation of b-annulated 1,4-dihydropyridine derivatives as TGFβ signaling inhibitors.

Definition

ChEBI: 2-Methylpropyl 3-oxobutanoate is an oxo carboxylic acid.

Preparation

From isobutyl acetate by heating in the presence of sodium isobutylate. Or by Claisen condensation of iso-ButyI acetate with Ethylacetate, using Sodium ethoxide catalyst.