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Substance Name: 4-Methoxyphenylacetic acid
RN: 104-01-8
UNII: AJP2V8U5K6
InChIKey: NRPFNQUDKRYCNX-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Growth Regulator / Fertilizer
  • Herbicide
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C9-H10-O3

Molecular Weight

  • 166.175
 
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Names and Synonyms

Name of Substance

  • 4-Methoxyphenylacetic acid

Synonyms

  • 2-(p-Anisyl)acetic acid
  • 4-10-00-00544 (Beilstein Handbook Reference)
  • 4-Methoxybenzeneacetic acid
  • 4-Methoxyphenylacetic acid
  • BRN 1101737
  • EINECS 203-166-4
  • Homoanisic acid
  • NSC 27799
  • p-Methoxyphenylacetic acid
  • UNII-AJP2V8U5K6

Systematic Names

  • 4-Methoxyphenylacetic acid
  • Acetic acid, p-methoxyphenyl-
  • Benzeneacetic acid, 4-methoxy-

Registry Numbers

CAS Registry Number

  • 104-01-8

FDA UNII

  • AJP2V8U5K6

System Generated Number

  • 0000104018

Structure Descriptors

InChI

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

InChIKey

NRPFNQUDKRYCNX-UHFFFAOYSA-N

Smiles

c1(ccc(OC)cc1)CC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 504mg/kg (504mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 709, 1977.
rat LD50 oral 1550mg/kg (1550mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 685, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 87 deg C   EXP
pKa Dissociation Constant 4.36 (none) 25 EXP
log P (octanol-water) 1.42 (none)   EXP
Water Solubility 9750 mg/L 25 EST
Vapor Pressure 5.34E-04 mm Hg 25 EST
Henry's Law Constant 2.62E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.42E-11 cm3/molecule-sec 25 EST

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