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Substance Name: 4-Hydroxy-3-methylbutan-2-one
RN: 3393-64-4
InChIKey: VVSRECWZBBJOTG-UHFFFAOYSA-N

Molecular Formula

  • C5-H10-O2

Molecular Weight

  • 102.132
 
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Names and Synonyms

Synonyms

  • AI3-04080
  • EINECS 222-238-6

Systematic Names

  • 2-Butanone, 4-hydroxy-3-methyl-
  • 4-Hydroxy-3-methylbutan-2-one

Registry Numbers

CAS Registry Number

  • 3393-64-4

System Generated Number

  • 0003393644

Structure Descriptors

InChI

1S/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3

InChIKey

VVSRECWZBBJOTG-UHFFFAOYSA-N

Smiles

C([C@@H](CO)C)(C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.790 (none)   EST
Water Solubility 1.00E+06 mg/L 25 EST
Henry's Law Constant 3.19E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.62E-11 cm3/molecule-sec 23 EXP

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