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 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
pka	10.69±0.46(Predicted)
form	Liquid
color	Clear colorless
Odor	at 100.00 %. sweet green sweaty fruity berry
Odor Type	green
Water Solubility	IMMISCIBLE
JECFA Number	602
BRN	507689
Stability:	Stable. Incompatible with strong oxidizing agents.
InChIKey	KQWWVLVLVYYYDT-UHFFFAOYSA-N
LogP	1.78
CAS DataBase Reference	3249-68-1(CAS DataBase Reference)
NIST Chemistry Reference	Hexanoic acid, 3-oxo-, ethyl ester(3249-68-1)

Safety Information

MSDS Information

Ethyl butyrylacetate Usage And Synthesis

Chemical Properties	colourless liquid
Chemical Properties	Ethyl 3-oxohexanoate has a slightly fatty odor.
Uses	Ethyl 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.
Definition	ChEBI: Ethyl 3-oxohexanoate is a fatty acid ethyl ester. It is functionally related to a 3-oxohexanoic acid.
Taste threshold values	Taste 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 Description	Ethyl 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.

Ethyl butyrylacetate Preparation Products And Raw materials

Raw materials	Propionyl chloride-->ETHYL 2-ACETYL-3-OXO-HEXANOATE-->Acetic acid, 2-[(1-oxobutyl)thio]-, ethyl ester-->Ethyl potassium malonate-->BUTYRONITRILE
Preparation Products	2-Pentanone-->6-BROMO-3-BUTYRYL-2H-CHROMEN-2-ONE-->Propylthiouracil-->CALANOLIDE A-->ETHYL 3-HYDROXYHEXANOATE-->6,7-Dihydroxy-4-propyl-2H-chromen-2-one-->4(1H)-Pyrimidinone, 6-propyl- (9CI)

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