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Substance Name: 2,6-Dimethoxybenzoic acid
RN: 1466-76-8
UNII: G6B3P1LO43
InChIKey: MBIZFBDREVRUHY-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O4

Molecular Weight

  • 182.174
 
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Names and Synonyms

Name of Substance

  • 2,6-Dimethoxybenzoic acid

Synonyms

  • 2,6-Dimethoxybenzoic acid
  • EINECS 215-985-4
  • NSC 28591
  • UNII-G6B3P1LO43

Systematic Names

  • 2,6-Dimethoxybenzoic acid
  • Benzoic acid, 2,6-dimethoxy-

Registry Numbers

CAS Registry Number

  • 1466-76-8

FDA UNII

  • G6B3P1LO43

System Generated Number

  • 0001466768

Structure Descriptors

InChI

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

InChIKey

MBIZFBDREVRUHY-UHFFFAOYSA-N

Smiles

COc1cccc(c1C(=O)O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 500mg/kg (500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE WEAKNESS
National Technical Information Service. Vol. OTS0543096,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 186 dec deg C   EXP
pKa Dissociation Constant 3.44 (none) 25 EXP
log P (octanol-water) 0.66 (none)   EXP
Water Solubility 1.47E+04 mg/L 25 EST
Henry's Law Constant 3.79E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.00E-11 cm3/molecule-sec 25 EST

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