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Substance Name: 4-Hydroxyphenylacetic acid
RN: 156-38-7
UNII: 3J9SHG0RCN
InChIKey: XQXPVVBIMDBYFF-UHFFFAOYSA-N

Classification Codes

  • Carcinogens
  • Drug / Therapeutic Agent
  • Noxae

Molecular Formula

  • C8-H8-O3

Molecular Weight

  • 152.148
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxyphenylacetic acid

Synonyms

  • (4-Hydroxyphenyl)acetic acid
  • (p-Hydroxyphenyl)acetic acid
  • 4-10-00-00543 (Beilstein Handbook Reference)
  • 4-Carboxymethylphenol
  • 4-Hydroxybenzeneacetic acid
  • 4-Hydroxyphenylacetate
  • AI3-17755
  • BRN 1448766
  • EINECS 205-851-3
  • NSC 25066
  • Parahydroxy phenylacetic acid
  • UNII-3J9SHG0RCN

Systematic Names

  • 4-Hydroxybenzeneacetic acid
  • Acetic acid, (p-hydroxyphenyl)-
  • Benzeneacetic acid, 4-hydroxy-
  • p-Hydroxyphenylacetic acid

Registry Numbers

CAS Registry Number

  • 156-38-7

FDA UNII

  • 3J9SHG0RCN

System Generated Number

  • 0000156387

Structure Descriptors

InChI

1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)

InChIKey

XQXPVVBIMDBYFF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3500mg/kg (3500mg/kg)   Farmaco, Edizione Scientifica. Vol. 13, Pg. 286, 1958.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 152 deg C   EXP
log P (octanol-water) 0.75 (none)   EXP
Water Solubility 1.73E+04 mg/L 22 EXP
Vapor Pressure 5.55E-05 mm Hg 25 EST
Henry's Law Constant 4.60E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.57E-11 cm3/molecule-sec 25 EST

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