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Substance Name: 1-Hydroxy-2-butanone
RN: 5077-67-8
UNII: M57N50D82D
InChIKey: GFAZHVHNLUBROE-UHFFFAOYSA-N

Note

  • Metabolite of 1,3-butadiene.

Molecular Formula

  • C4-H8-O2

Molecular Weight

  • 88.1052
 
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Names and Synonyms

Name of Substance

  • 1-Hydroxy-2-butanone

Synonyms

  • 1-Hydroxy-2-butanone
  • 2-Butanone, 1-hydroxy-
  • 2-Oxobutanol
  • EINECS 225-790-6
  • Ethyl hydroxymethyl ketone
  • FEMA No. 3173
  • UNII-M57N50D82D

Systematic Names

  • 1-Hydroxybutan-2-one
  • 2-Butanone, 1-hydroxy-

Superlist Name

  • 1-Hydroxy-2-butanone

Registry Numbers

CAS Registry Number

  • 5077-67-8

FDA UNII

  • M57N50D82D

System Generated Number

  • 0005077678

Structure Descriptors

InChI

InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3

InChIKey

GFAZHVHNLUBROE-UHFFFAOYSA-N

Smiles

CCC(=O)CO

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 160 deg C   EXP
log P (octanol-water) -0.290 (none)   EST
Atmospheric OH Rate Constant 7.70E-12 cm3/molecule-sec 23 EXP

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