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Substance Name: 2-(2-Methylphenoxy)acetic acid
RN: 1878-49-5
UNII: PXO85N85G3
InChIKey: QJVXBRUGKLCUMY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-O3

Molecular Weight

  • 166.175
 
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Names and Synonyms

Name of Substance

  • 2-(2-Methylphenoxy)acetic acid

Synonyms

  • (o-Tolyloxy)acetic acid
  • 2-Methylphenoxyacetic acid
  • 4-06-00-01964 (Beilstein Handbook Reference)
  • Acide o-methylphenoxyacetique
  • Acide o-methylphenoxyacetique [French]
  • BRN 1943465
  • EINECS 217-517-4
  • NSC 5293
  • UNII-PXO85N85G3

Systematic Names

  • Acetic acid, (2-methylphenoxy)-
  • Acetic acid, (2-methylphenoxy)- (9CI)
  • Acetic acid, (o-tolyloxy)-
  • o-Tolyloxyacetic acid

Registry Numbers

CAS Registry Number

  • 1878-49-5

FDA UNII

  • PXO85N85G3

System Generated Number

  • 0001878495

Structure Descriptors

InChI

1S/C9H10O3/c1-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

InChIKey

QJVXBRUGKLCUMY-UHFFFAOYSA-N

Smiles

OC(=O)COc1ccccc1C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 452mg/kg (452mg/kg)   Travaux de la Societe de Pharmacie de Montpellier. Vol. 34, Pg. 121, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 3.23 (none) 25 EXP
log P (octanol-water) 1.98 (none)   EXP
Water Solubility 600 mg/L 25 EXP
Vapor Pressure 5.34E-04 mm Hg 25 EST
Henry's Law Constant 1.85E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.13E-11 cm3/molecule-sec 25 EST

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