BENZYL ACETOACETATE

BENZYL ACETOACETATE Basic information
Product Name:BENZYL ACETOACETATE
Synonyms:3-oxo-butanoicaciphenylmethylester;Benzyl 3-oxobutanoate;Benzyl acetylacetate;Benzyl3-oxobutanoate;Butanoicacid,3-oxo-,phenylmethylester;BENZYL ACETOACETATE 97+%;BENZYL ACETOACETATE, WACKER QUALITY;Benzyl acetoacetate, tech., 90%
CAS:5396-89-4
MF:C11H12O3
MW:192.21
EINECS:226-416-4
Product Categories:Pharmaceutical Intermediates
Mol File:5396-89-4.mol
BENZYL ACETOACETATE Structure
BENZYL ACETOACETATE Chemical Properties
Boiling point 156-159 °C10 mm Hg(lit.)
density 1.112 g/mL at 25 °C(lit.)
FEMA 2136 | BENZYL ACETOACETATE
refractive index n20/D 1.512(lit.)
Fp >230 °F
storage temp. Store below +30°C.
solubility It is soluble in alkali solutions.
pka10.60±0.46(Predicted)
form clear liquid
color Colorless to Brown
Odorat 100.00 %. sweet benzyl propionate and acetate floral fruity
Odor Typefloral
JECFA Number848
BRN 2049615
LogP2.03
CAS DataBase Reference5396-89-4(CAS DataBase Reference)
EPA Substance Registry SystemBenzyl acetoacetate (5396-89-4)
Safety Information
Safety Statements 24/25
WGK Germany 1
TSCA Yes
HS Code 29183000
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
BENZYL ACETOACETATE Usage And Synthesis
Chemical Propertiesyellow viscous liquid
Chemical PropertiesBenzyl acetoacetate has a sweet, floral, fresh, balsamic, fruity odor similar to that of ethyl acetate.
OccurrenceReported found in litchi (Litchi sinensis Sonn.).
UsesBenzyl acetoacetate is used as a Pharmaceutical and fine chemical intermediate.
UsesBenzyl acetoacetate (AAbenzyl) is chemical intermediate used for the syntheses of different organic chemicals Product Data Sheet
PreparationBy heating ethyl acetoacetate and benzyl alcohol to 160°C.
DefinitionChEBI: Benzyl acetoacetate is a carboxylic ester. It is functionally related to a benzyl alcohol.
General DescriptionBenzyl acetoacetate undergoes asymmetric bioreduction to form benzyl (S)-(+)-3-hydroxybutyrate in the presence of Candida schatavii strain MY 1831.
Purification MethodsFractionate the ester and collect fractions with the expected physical properties. Otherwise add ca 10% by weight of benzyl alcohol and heat in an oil bath (160-170o, open vessel) for 30minutes during which time excess of benzyl alcohol will have distilled off, then fractionate. [Baker et al. J Org Chem 17 77 1952, Beilstein 6 IV 2480.]
BENZYL ACETOACETATE Preparation Products And Raw materials
Preparation Products5-PyriMidinecarboxylic acid, 4-[1,1'-biphenyl]-4-yl-1-[6-[[2-(butylaMino)-1-[3-(Methoxycarbonyl)-4-(2-Methoxy-2-oxoethoxy)phenyl]-2-oxoethyl]hexylaMino]-6-oxohexyl]-1,2,3,4-tetrahydro-6-Methyl-2-oxo-, phenylMethyl ester-->Cyclopropanecarboxylic acid, 1-acetyl-, phenylmethyl ester-->4-phenylbutanoyl chloride-->1(2H)-PyriMidinehexanoic acid, 4-[1,1'-biphenyl]-4-yl-3,4-dihydro-6-Methyl-2-oxo-5-[(phenylMethoxy)carbonyl]--->MFCD22689506
AURORA KA-5284 3-(4-METHOXYPHENYL)-4,4-DIMETHYL-2-OXASPIRO[5.5]UNDECANE-1,5-DIONE DIBENZYL ACETONE DICARBOXYLATE 1-phenylethyl 2-chloroacetoacetate 2-[N-[(S)-1-ETHOXYCARBONYL-3-PHENYLPROPYL]-L-ALANYL]-(1S,3S,5S)-2-AZABICYCLO[3.3.0]OCTANE-3-CARBOXYLIC ACID, BENZYL ESTER-D5 3-OXO-BUTANOIC ACID (3,4-DICHLOROPHENYL)METHYL ESTER TREMULACIN p-Nitrobenzyl-6-(1-hydroxyethyl)-1-azabicyclo(3.2.0)heptane-3,7-dione-2-carboxylate BENZYL ACETOACETATE, (ACETOACETIC ACID BENZYL ESTER) AURORA KA-824 AURORA KA-4710 ART-CHEM-BB B024721 PARA NITRO BENZYL ACETOACETATE,P-NITRO BENZYL ACETOACETATE 1-phenylethyl acetoacetate BENZYL ACETOACETATE 1-TERT-BUTOXYCARBONYL-4-OXO-3-PIPERIDINECARBOXYLATE BENZYL ESTER Benzyl acetate benzyl 1-[2-(azepan-1-yl)ethyl]-2-oxo-cyclohexane-1-carboxylate

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