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Substance Name: beta-Hydroxybutyric acid
RN: 300-85-6
UNII: TZP1275679
InChIKey: WHBMMWSBFZVSSR-UHFFFAOYSA-N

Note

  • BUTYRIC ACID substituted in the beta or 3 position. It is one of the ketone bodies produced in the liver.

Molecular Formula

  • C4-H8-O3

Molecular Weight

  • 104.104
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxybutyric acid
  • beta-Hydroxybutyric acid

MeSH Heading

  • 3-Hydroxybutyric acid

Synonyms

  • 3 HBA
  • 3-Hydroxybutanoic acid
  • 3-Hydroxybuttersaeure
  • 3-Hydroxybutyric acid
  • AI3-21675
  • beta-Hydroxy-n-butyric acid
  • beta-Hydroxybuttersaeure
  • DL-beta-Hydroxybutyric acid
  • EINECS 206-099-9
  • EINECS 210-908-0
  • NSC 3806
  • UNII-TZP1275679

Systematic Names

  • (1)-3-Hydroxybutyric acid
  • 3-Hydroxybutyric acid
  • Butanoic acid, 3-hydroxy-
  • Butyric acid, 3-hydroxy- (8CI)

Registry Numbers

CAS Registry Number

  • 300-85-6

FDA UNII

  • TZP1275679

Other Registry Number

  • 625-71-8

System Generated Number

  • 0000300856

Structure Descriptors

InChI

1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)

InChIKey

WHBMMWSBFZVSSR-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 46 deg C   EXP
pKa Dissociation Constant 4.41 (none) 22 EXP
log P (octanol-water) -0.470 (none)   EST
Atmospheric OH Rate Constant 1.00E-11 cm3/molecule-sec 25 EST

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