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Substance Name: Ethyl 4-oxobutanoate
RN: 10138-10-0
UNII: 0592D2Y8Z0
InChIKey: QFMPHCGACBODIJ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H10-O3

Molecular Weight

  • 130.142
 
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Names and Synonyms

Name of Substance

  • Ethyl 4-oxobutanoate

Synonyms

  • 4-03-00-01555 (Beilstein Handbook Reference)
  • AI3-52376
  • beta-Formyl propionic acid, ethyl ester
  • BRN 1756021
  • Ethylester kyseliny 3-formylpropionove
  • Ethylester kyseliny 3-formylpropionove [Czech]
  • UNII-0592D2Y8Z0

Systematic Names

  • Butanoic acid, 4-oxo-, ethyl ester
  • Succinaldehydic acid, ethyl ester

Registry Numbers

CAS Registry Number

  • 10138-10-0

FDA UNII

  • 0592D2Y8Z0

System Generated Number

  • 0010138100

Structure Descriptors

InChI

1S/C6H10O3/c1-2-9-6(8)4-3-5-7/h5H,2-4H2,1H3

InChIKey

QFMPHCGACBODIJ-UHFFFAOYSA-N

Smiles

C(=O)(OCC)CCC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 7100uL/kg (7.1mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 9870uL/kg (9.87mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 162 deg C   EXP
log P (octanol-water) 0.360 (none)   EST
Atmospheric OH Rate Constant 2.44E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.