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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 Structure
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.)
FEMA 2177 | ISOBUTYL ACETOACETATE
refractive index n20/D 1.424(lit.)
Fp 173 °F
storage temp. Sealed in dry,Store in freezer, under -20°C
pka10?+-.0.46(Predicted)
form liquid
color clear
Odorat 10.00 % in dipropylene glycol. sweet wine brandy fruity
Odor Typefruity
JECFA Number597
BRN 1761405
LogP1.60
CAS DataBase Reference7779-75-1(CAS DataBase Reference)
NIST Chemistry ReferenceButanoic acid, 3-oxo-, 2-methylpropyl ester(7779-75-1)
EPA Substance Registry SystemButanoic acid, 3-oxo-, 2-methylpropyl ester (7779-75-1)
Safety Information
WGK Germany 3
HS Code 2918.30.9000
MSDS Information
ProviderLanguage
SigmaAldrich English
Isobutyl acetoacetate Usage And Synthesis
DescriptionIsobutyl 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 PropertiesClear liquid
Chemical PropertiesIsobutyl acetoacetate has a sweet, winy, brandy-like odor and a sweet and slightly fruity flavor.
UsesIsobutyl 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.
UsesIsobutyl acetoacetate is used as intermediate for the production of pharmaceuticals (e.g. Nisoldipine). Product Data Sheet
DefinitionChEBI: 2-Methylpropyl 3-oxobutanoate is an oxo carboxylic acid.
PreparationFrom isobutyl acetate by heating in the presence of sodium isobutylate.
Isobutyl acetoacetate Preparation Products And Raw materials
Raw materials2-Methyl-1-propanol-->Acetyl ketene-->METHANE-->Isobutyl acetate
Preparation ProductsNisoldipine
2-(METHACRYLOYLOXY)ETHYL ACETOACETATE (2-Propenyl) 3-oxobutanoate (4-Nitrophenyl)methyl 3-oxobutanoate 2-Methoxyethyl acetoacetate VINYL ESTER RESIN Acetyl tributyl citrate TITANIUM ISOBUTOXIDE Phenylacetic acid isobutyl ester Isobutyl stearate Isobutyl cinnamate ETHYL, 2-ISOBUTYL ACETOACETATE ISOBUTYL ACETOACETATE 98+% Acetoacetic Acid Triisobutyl phosphate AcidEster LUTEINESTER Isobutyl acetoacetate isobutyl oleate
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