Ethyl butyrylacetate Chemical Properties

Melting point:

-44°C

Boiling point:

104 °C22 mm Hg(lit.)

Density 

0.989 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.427(lit.)

FEMA 

3683 | ETHYL 3-OXOHEXANOATE

Flash point:

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

Safety Statements 

24/25

RIDADR 

NA 1993 / PGIII

WGK Germany 

3

RTECS 

MO8420500

HS Code 

29183000

MSDS

• Language:English Provider:Ethyl 3-oxohexanoate
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

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 (3249-68-1)Related Product Information

• Ethyl propionylacetate
• CHLOROETHANE
• Ethylbenzene
• Ethyl formate
• Ethyl cellulose
• Ethyl phenylacetate
• Dibutyryl adenosine cyclophosphate calcium
• Ethanol
• Ethyl acetate
• Ethyl acrylate
• Ethylparaben
• Ethyl bromoacetate
• Methyl 3-oxohexanoate
• Ethyl 2-oxocyclohexanecarboxylate
• Ethyl 2-oxocyclopentanecarboxylate
• Ethyl isobutyrylacetate
• Diethyl ether
• ETHYL HEPTAFLUOROBUTYRYLACETATE