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Substance Name: Ethyl 3-oxohexanoate
RN: 3249-68-1
UNII: 8Q1AHG710E
InChIKey: KQWWVLVLVYYYDT-UHFFFAOYSA-N

Molecular Formula

  • C8-H14-O3

Molecular Weight

  • 158.1956
 
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Names and Synonyms

Name of Substance

  • Ethyl 3-oxohexanoate

Synonyms

  • AI3-23360
  • EINECS 221-835-9
  • Ethyl 3-oxohexanoate
  • Ethyl alpha-butyrylacetate
  • Ethyl beta-ketohexanoate
  • Ethyl butyroacetate
  • FEMA No. 3683
  • Hexanoic acid, 3-oxo-, ethyl ester
  • UNII-8Q1AHG710E

Systematic Names

  • Ethyl 3-oxohexanoate
  • Hexanoic acid, 3-oxo-, ethyl ester

Superlist Name

  • Ethyl 3-oxohexanoate

Registry Numbers

CAS Registry Number

  • 3249-68-1

FDA UNII

  • 8Q1AHG710E

System Generated Number

  • 0003249681

Structure Descriptors

InChI

1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3

InChIKey

KQWWVLVLVYYYDT-UHFFFAOYSA-N

Smiles

C(=O)(CC(=O)CCC)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5217973,