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Isobutyl acetoacetate

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Isobutyl acetoacetate Basic information

Product Name:
Isobutyl acetoacetate
Synonyms:
  • 3-Oxobutanoic acid isobutyl ester
  • 3-Oxobutyric acid isobutyl ester
  • Acetoacetic acid 2-methylpropyl ester
  • Isobutyl Acetoacetate, 98.0%(GC)
  • 3-oxo-butanoicaci2-methylpropylester
  • Isobutyl 3-oxobutanoate
  • ACIB
  • ACETOACETIC ACID ISOBUTYL ESTER
CAS:
7779-75-1
MF:
C8H14O3
MW:
158.2
EINECS:
231-937-5
Product Categories:
  • Organics
  • C8 to C9
  • Carbonyl Compounds
  • Esters
Mol File:
7779-75-1.mol
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Isobutyl acetoacetate Chemical Properties

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)
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Safety Information

WGK Germany 
3
HS Code 
2918.30.9000

MSDS

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Isobutyl acetoacetate Usage And Synthesis

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.

Isobutyl acetoacetate Preparation Products And Raw materials

Raw materials

Preparation Products

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