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HomeProduct name listIsobutyl acetoacetate

Isobutyl acetoacetate

  • CAS NO.:7779-75-1
  • Empirical Formula: C8H14O3
  • Molecular Weight: 158.2
  • MDL number: MFCD00059349
  • EINECS: 231-937-5
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-12-18 14:15:30
Isobutyl acetoacetate Structural

What is Isobutyl acetoacetate?

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 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.

Chemical properties

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

The Uses of Isobutyl acetoacetate

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

The Uses of Isobutyl acetoacetate

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.

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.

Definition

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

Properties of Isobutyl acetoacetate

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
form  liquid
pka 10?+-.0.46(Predicted)
color  clear
Odor at 10.00 % in dipropylene glycol. sweet wine brandy fruity
JECFA Number 597
BRN  1761405
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 information for Isobutyl acetoacetate

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

Computed Descriptors for Isobutyl acetoacetate

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