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HomeProduct name listEthyl butyrylacetate

Ethyl butyrylacetate

Synonym(s):Ethyl butyrylacetate

  • CAS NO.:3249-68-1
  • Empirical Formula: C8H14O3
  • Molecular Weight: 158.2
  • MDL number: MFCD00009401
  • EINECS: 221-835-9
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-07-31 12:14:15
Ethyl butyrylacetate  Structural

What is Ethyl butyrylacetate ?

Chemical properties

colourless liquid

Chemical properties

Ethyl 3-oxohexanoate has a slightly fatty odor.

The Uses of Ethyl butyrylacetate

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.

Properties of Ethyl butyrylacetate

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

Safety information for Ethyl butyrylacetate

Signal word Warning
Pictogram(s)
ghs
Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H227:Flammable liquids
H301:Acute toxicity,oral
Precautionary Statement Codes P405:Store locked up.
P403+P235:Store in a well-ventilated place. Keep cool.

Computed Descriptors for Ethyl butyrylacetate

InChIKey KQWWVLVLVYYYDT-UHFFFAOYSA-N

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