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Substance Name: 2-Hydroxyisobutyric acid
RN: 594-61-6
UNII: DMW250U2HF
InChIKey: BWLBGMIXKSTLSX-UHFFFAOYSA-N

Molecular Formula

  • C4-H8-O3

Molecular Weight

  • 104.1042
 
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Names and Synonyms

Name of Substance

  • 2-Hydroxyisobutyric acid

Synonyms

  • 2-Hydroxy-2-methylpropanoic acid
  • 2-Hydroxy-2-methylpropionic acid
  • 2-Hydroxyisobutyric acid
  • 2-Methyllactic acid
  • Acetonic acid
  • AI3-31313
  • alpha-Hydroxy-alpha-methylpropanoic acid
  • alpha-Hydroxyisobutanoic acid
  • EINECS 209-848-8
  • Hydroxydimethylacetic acid
  • Lactic acid, 2-methyl-, L-
  • NSC 402158
  • NSC 4505
  • UNII-DMW250U2HF

Systematic Names

  • 2-Hydroxy-2-methylpropanoic acid
  • 2-Hydroxy-2-methylpropionic acid
  • Lactic acid, 2-methyl- (8CI)
  • Propanoic acid, 2-hydroxy-2-methyl-

Registry Numbers

CAS Registry Number

  • 594-61-6

FDA UNII

  • DMW250U2HF

Other Registry Number

  • 27909-95-1

System Generated Number

  • 0000594616

Structure Descriptors

InChI

1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)

InChIKey

BWLBGMIXKSTLSX-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 82.5 deg C   EXP
Boiling Point 212 deg C   EXP
pKa Dissociation Constant 3.61 (none) 25 EXP
log P (octanol-water) -0.36 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Henry's Law Constant 1.51E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.69E-12 cm3/molecule-sec 25 EST

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