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Substance Name: 3,5-Dimethoxybenzoic acid
RN: 1132-21-4
UNII: 38MY78ECKK
InChIKey: IWPZKOJSYQZABD-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O4

Molecular Weight

  • 182.174
 
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Names and Synonyms

Name of Substance

  • 3,5-Dimethoxybenzoic acid

Synonyms

  • 3,5-Dimethoxybenzoic acid
  • AI3-52341
  • EINECS 214-473-8
  • NSC 43744
  • NSC 8514
  • UNII-38MY78ECKK

Systematic Names

  • 3,5-Dimethoxybenzoic acid
  • Benzoic acid, 3,5-dimethoxy-

Registry Numbers

CAS Registry Number

  • 1132-21-4

FDA UNII

  • 38MY78ECKK

System Generated Number

  • 0001132214

Structure Descriptors

InChI

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

InChIKey

IWPZKOJSYQZABD-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1)OC)OC)C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 185.5 deg C   EXP
pKa Dissociation Constant 3.97 (none) 25 EXP
log P (octanol-water) 2.19 (none)   EXP
Water Solubility 724 mg/L 25 EST
Henry's Law Constant 3.79E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.69E-11 cm3/molecule-sec 25 EST

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