Isobutyl acetoacetate
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
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)
MSDS
- Language:English Provider:SigmaAldrich
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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Isobutyl acetoacetate(7779-75-1)Related Product Information
- isobutyl oleate
- Ethyl acetoacetate
- Diisobutyl phthalate
- Butyl acrylate resin
- Acetyl tributyl citrate
- Butyl stearate
- Tris(trimethylsilyl)phosphate
- tert-Butyl bromoacetate
- TITANIUM ISOBUTOXIDE
- Triisobutyl phosphate
- Acetoacetic Acid
- tert-Butyl chloroacetate
- Butyric Acid
- Tributyl citrate
- Butyl acetate
- Dimethyl succinate
- DL-sec-Butyl acetate
- Phenylacetic acid isobutyl ester