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Substance Name: Homogentisic acid
RN: 451-13-8
UNII: NP8UE6VF08
InChIKey: IGMNYECMUMZDDF-UHFFFAOYSA-N

Note

  • Dihydroxyphenylacetic acid with hydroxyls at the 2 and 5 positions of the phenyl ring.

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H8-O4

Molecular Weight

  • 168.1472
 
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Names and Synonyms

Name of Substance

  • Homogentisic acid

MeSH Heading

  • Homogentisic acid

Synonyms

  • 2,5-Dihydroxy-alpha-toluic acid
  • 2,5-Dihydroxybenzeneacetic acid
  • 2,5-Dihydroxyphenylacetic acid
  • 4-10-00-01506 (Beilstein Handbook Reference)
  • Alcapton
  • BRN 2692860
  • EINECS 207-192-7
  • Homogentisate acid
  • Homogentisic acid
  • Homogentisinic acid
  • NSC 88940
  • UNII-NP8UE6VF08

Systematic Names

  • (2,5-Dihydroxyphenyl)acetic acid
  • Acetic acid, (2,5-dihydroxyphenyl)-
  • Benzeneacetic acid, 2,5-dihydroxy-

Registry Numbers

CAS Registry Number

  • 451-13-8

FDA UNII

  • NP8UE6VF08

System Generated Number

  • 0000451138

Structure Descriptors

InChI

1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)

InChIKey

IGMNYECMUMZDDF-UHFFFAOYSA-N

Smiles

c1cc(c(cc1O)CC(=O)O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 153 deg C   EXP
log P (octanol-water) 0.86 (none)   EXP
Water Solubility 8.50E+05 mg/L 25 EXP
Vapor Pressure 8.18E-07 mm Hg 25 EST
Henry's Law Constant 4.79E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.96E-11 cm3/molecule-sec 25 EST

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