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Substance Name: 5-Ketohexanoic acid
RN: 3128-06-1
UNII: RO0W8YUJ2W
InChIKey: MGTZCLMLSSAXLD-UHFFFAOYSA-N

Molecular Formula

  • C6-H10-O3

Molecular Weight

  • 130.142
 
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Names and Synonyms

Name of Substance

  • 5-Ketohexanoic acid

Synonyms

  • 4-Acetylbutyric acid
  • 5-Ketocaproic acid
  • 5-Ketohexanoic acid
  • 5-Oxohexanoic acid
  • delta-Ketocaproic acid
  • delta-Oxocaproic acid
  • EINECS 221-511-7
  • gamma-Acetylbutyric acid
  • NSC 5281
  • UNII-RO0W8YUJ2W

Systematic Names

  • 5-Oxohexanoic acid
  • Hexanoic acid, 5-oxo-

Registry Numbers

CAS Registry Number

  • 3128-06-1

FDA UNII

  • RO0W8YUJ2W

System Generated Number

  • 0003128061

Structure Descriptors

InChI

InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)

InChIKey

MGTZCLMLSSAXLD-UHFFFAOYSA-N

Smiles

CC(=O)CCCC(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 13.5 deg C   EXP
Boiling Point 274.5 deg C   EXP
log P (octanol-water) .00E+00 (none)   EST
Atmospheric OH Rate Constant 6.83E-12 cm3/molecule-sec 25 EST

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