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Substance Name: alpha-Ketobutyric acid
RN: 600-18-0
UNII: B92RB6HY1A
InChIKey: TYEYBOSBBBHJIV-UHFFFAOYSA-N

Molecular Formula

  • C4-H6-O3

Molecular Weight

  • 102.0884
 
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Names and Synonyms

Name of Substance

  • alpha-Ketobutyric acid

Synonyms

  • 2-Oxobutanoic acid
  • 2-Oxobutyric acid
  • 3-Methylpyruvic acid
  • alpha-Ketobutric acid
  • alpha-Ketobutyric acid
  • alpha-Oxo-n-butyric acid
  • alpha-Oxobutyrate
  • Butanoic acid, 2-oxo-
  • Butyric acid, 2-oxo-
  • EINECS 209-986-9
  • FEMA No. 3723
  • Formic acid, propionyl-
  • Ketobutyrate
  • NSC 60533
  • Pyruvic acid, methyl-
  • UNII-B92RB6HY1A

Systematic Names

  • 2-Oxobutanoic acid
  • 2-Oxobutyric acid
  • Butanoic acid, 2-oxo-

Superlist Name

  • 2-Ketobutyric acid

Registry Numbers

CAS Registry Number

  • 600-18-0

FDA UNII

  • B92RB6HY1A

Related Registry Number

  • 2013-26-5 (hydrochloride salt)

System Generated Number

  • 0000600180

Structure Descriptors

InChI

1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)

InChIKey

TYEYBOSBBBHJIV-UHFFFAOYSA-N

Smiles

C(C(O)=O)(CC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 33 deg C   EXP
log P (octanol-water) -0.750 (none)   EST
Atmospheric OH Rate Constant 1.75E-12 cm3/molecule-sec 25 EST

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