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Substance Name: Veratric acid
RN: 93-07-2
UNII: 1YY04E7RR4
InChIKey: DAUAQNGYDSHRET-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C9-H10-O4

Molecular Weight

  • 182.174
 
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Names and Synonyms

Name of Substance

  • Veratric acid

Synonyms

  • 3,4-Dimethoxybenzoic acid
  • 3,4-Dimethylprotocatechuic acid
  • 4-10-00-01460 (Beilstein Handbook Reference)
  • BRN 0518285
  • Dimethylprotocatechuic acid
  • EC 202-215-7
  • EINECS 202-215-7
  • NSC 7721
  • UNII-1YY04E7RR4
  • Veratric acid

Systematic Names

  • 3,4-Dimethoxybenzoic acid
  • Benzoic acid, 3,4-dimethoxy-
  • Veratric acid

Registry Numbers

CAS Registry Number

  • 93-07-2

FDA UNII

  • 1YY04E7RR4

System Generated Number

  • 0000093072

Structure Descriptors

InChI

InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)

InChIKey

DAUAQNGYDSHRET-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 181 deg C   EXP
pKa Dissociation Constant 4.36 (none) 25 EXP
log P (octanol-water) 1.61 (none)   EXP
Water Solubility 500 mg/L 14 EXP
Henry's Law Constant 3.79E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.07E-12 cm3/molecule-sec 25 EST

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