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Substance Name: Phenoxyacetic acid
RN: 122-59-8
UNII: YRC253429Q
InChIKey: LCPDWSOZIOUXRV-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H8-O3

Molecular Weight

  • 152.1482
 
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Names and Synonyms

Name of Substance

  • Phenoxyacetic acid

Synonyms

  • 4-06-00-00634 (Beilstein Handbook Reference)
  • Acetic acid, phenoxy-
  • Acide phenoxyacetique
  • Acide phenoxyacetique [French]
  • AI3-06295
  • BRN 0907949
  • CCRIS 7275
  • EINECS 204-556-7
  • FEMA No. 2872
  • Glycol acid phenyl ether
  • Glycolic acid phenyl ether
  • Glycollic acid phenyl ether
  • NSC 9810
  • o-Phenylglycolic acid
  • Phenoxyacetic acid
  • Phenoxyethanoic acid
  • Phenyl ether glycolic acid
  • Phenylglycolic acid, O-
  • POA
  • UNII-YRC253429Q

Systematic Names

  • Acetic acid, 2-phenoxy-
  • Acetic acid, phenoxy-
  • Phenoxyacetic acid

Superlist Name

  • Phenoxyacetic acid

Registry Numbers

CAS Registry Number

  • 122-59-8

FDA UNII

  • YRC253429Q

System Generated Number

  • 0000122598

Structure Descriptors

InChI

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

InChIKey

LCPDWSOZIOUXRV-UHFFFAOYSA-N

Smiles

c1(OCC(O)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 unreported 1400mg/kg (1400mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(1), Pg. 25, 1981.
mouse LD50 intravenous 1gm/kg (1000mg/kg)   Pharmazie. Vol. 18, Pg. 642, 1963.
mouse LD50 oral 3750mg/kg (3750mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(1), Pg. 25, 1981.
rabbit LD50 oral > 200mg/kg (200mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 887, 1979.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 887, 1979.
rat LD50 intraperitoneal 323mg/kg (323mg/kg)   Travaux de la Societe de Pharmacie de Montpellier. Vol. 34, Pg. 121, 1974.
rat LD50 oral 1500mg/kg (1500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 94, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 98.5 deg C   EXP
Boiling Point 285 deg C   EXP
pKa Dissociation Constant 3.17 (none) 25 EXP
log P (octanol-water) 1.34 (none)   EXP
Water Solubility 1.20E+04 mg/L 10 EXP
Vapor Pressure 1.65E-03 mm Hg 25 EST
Henry's Law Constant 1.68E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.63E-11 cm3/molecule-sec 25 EST

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