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Substance Name: alpha-Ketoisovalerate
RN: 759-05-7
UNII: 34P71D50E0
InChIKey: QHKABHOOEWYVLI-UHFFFAOYSA-N

Molecular Formula

  • C5-H8-O3

Molecular Weight

  • 116.1152
 
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Names and Synonyms

Name of Substance

  • alpha-Ketoisovalerate

Synonyms

  • (RS)-3-Methyl-2-oxobuttersaeure
  • 2-Ketoisovaleric acid
  • 3-Methyl-2-oxobuttersaeure
  • 3-Methyl-2-oxobutyric acid
  • alpha-Ketoisovalerate
  • alpha-Ketoisovaleric acid
  • EINECS 212-065-4
  • UNII-34P71D50E0

Systematic Names

  • 3-Methyl-2-oxobutyric acid
  • Butanoic acid, 3-methyl-2-oxo-

Superlist Name

  • 2-Oxoisovaleric acid

Registry Numbers

CAS Registry Number

  • 759-05-7

FDA UNII

  • 34P71D50E0

Related Registry Numbers

  • 3715-29-5 (hydrochloride salt)
  • 51828-94-5 (calcium salt)

System Generated Number

  • 0000759057

Structure Descriptors

InChI

InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)

InChIKey

QHKABHOOEWYVLI-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 31.5 deg C   EXP
Boiling Point 170.5 deg C   EXP
log P (octanol-water) -0.330 (none)   EST
Atmospheric OH Rate Constant 3.04E-12 cm3/molecule-sec 25 EST

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