Ethyl butyrylacetate

Ethyl butyrylacetate Basic information
Product Name:Ethyl butyrylacetate
Synonyms:Ethyl Butyrylacetate Ethyl 3-Ketohexanoate 3-Ketohexanoic Acid Ethyl Ester 3-Oxohexanoic Acid Ethyl Ester;3-oxo-hexanoicaciethylester;ETHYL BUTYRYLACETATE FOR SYNTHESIS;Ethyl 3-oxohexano;Ethyl 3-oxocaproate, Ethyl butyrylacetate, Ethyl butanoylacetate;Butyrylacetate;Ethyl 3-oxohexanoate 98%;Ethy Butyrylacetate
CAS:3249-68-1
MF:C8H14O3
MW:158.2
EINECS:221-835-9
Product Categories:Pharmaceutical Intermediates;BUILDING BLOCKS;C8 to C9;Carbonyl Compounds;Chemical Synthesis;Esters;Organic Building Blocks
Mol File:3249-68-1.mol
Ethyl butyrylacetate Structure
Ethyl butyrylacetate Chemical Properties
Melting point -44°C
Boiling point 104 °C22 mm Hg(lit.)
density 0.989 g/mL at 25 °C(lit.)
FEMA 3683 | ETHYL 3-OXOHEXANOATE
refractive index n20/D 1.427(lit.)
Fp 173 °F
storage temp. Sealed in dry,Room Temperature
solubility soluble in Chloroform, Dichloromethane, Ethyl Acetate, Methanol
pka10.69±0.46(Predicted)
form Liquid
color Clear colorless
Odorat 100.00 %. sweet green sweaty fruity berry
Odor Typegreen
Water Solubility IMMISCIBLE
JECFA Number602
BRN 507689
Stability:Stable. Incompatible with strong oxidizing agents.
InChIKeyKQWWVLVLVYYYDT-UHFFFAOYSA-N
LogP1.78
CAS DataBase Reference3249-68-1(CAS DataBase Reference)
NIST Chemistry ReferenceHexanoic acid, 3-oxo-, ethyl ester(3249-68-1)
Safety Information
Safety Statements 24/25
RIDADR NA 1993 / PGIII
WGK Germany 3
RTECS MO8420500
HS Code 29183000
MSDS Information
ProviderLanguage
Ethyl 3-oxohexanoate English
ACROS English
SigmaAldrich English
ALFA English
Ethyl butyrylacetate Usage And Synthesis
Chemical Propertiescolourless liquid
Chemical PropertiesEthyl 3-oxohexanoate has a slightly fatty odor.
UsesEthyl Butyrylacetate is used in the synthesis of pharmaceutical agents such as the anti-HIV agent (+/-)-Calanolide A.Also used in the synthesis of potent and selective polymerase inhibitors.
DefinitionChEBI: Ethyl 3-oxohexanoate is a fatty acid ethyl ester. It is functionally related to a 3-oxohexanoic acid.
Taste threshold valuesTaste characteristics at 50 ppm: fruity, pineapple and green with sweet licorice and vanilla notes.
Synthesis Reference(s)The Journal of Organic Chemistry, 44, p. 310, 1979 DOI: 10.1021/jo01316a039
General DescriptionEthyl 3-oxohexanoate is a volatile flavor ester that is reported to occur in banana fruit. It can undergo bioreduction to form ethyl (R)-3-hydroxyhexanoate, another key food flavoring agent.
BUTYL 2-CYCLOPENTANONE-1-CARBOXYLATE DIETHYL 3-OXOPIMELATE Ethyl propionylacetate Ethyl 2-oxocyclopentanecarboxylate Ethyl butyrylacetate 3-OXOHEXANEDIOIC ACID DIETHYL ESTER Ethyl formate picromycin Ethylbenzene ETHYL ISOAMYLACETOACETATE CHLOROETHANE Ethyl cellulose Diethyl succinosuccinate 3-OXO-HEPT-6-ENOIC ACID ETHYL ESTER Ethyl 2-oxocyclohexanecarboxylate Ethyl phenylacetate ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE 3-OXO-5-PHENYL-PENTANOIC ACID ETHYL ESTER

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