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Substance Name: Phloretic acid
RN: 501-97-3
UNII: 6QNC6P18SR
InChIKey: NMHMNPHRMNGLLB-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O3

Molecular Weight

  • 166.175
 
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Names and Synonyms

Name of Substance

  • Phloretic acid

Synonyms

  • 3-(4-Hydroxyphenyl)propanoic acid
  • 3-(4-Hydroxyphenyl)propionic acid
  • 3-(p-Hydroxyphenyl)propionic acid
  • 4-10-00-00631 (Beilstein Handbook Reference)
  • 4-Hydroxybenzenepropanoic acid
  • 4-Hydroxyphenylpropionic acid
  • AI3-31909
  • beta-(p-Hydroxyphenyl)propionic acid
  • BRN 2209841
  • Dihydro-p-coumaric acid
  • EINECS 207-931-3
  • Hydro-p-coumaric acid
  • NSC 40949
  • p-Hydroxyhydrocinnamic acid
  • Phloretic acid
  • uHLORETIC ACID
  • UNII-6QNC6P18SR

Systematic Names

  • 3-(4-Hydroxyphenyl)propionic acid
  • Benzenepropanoic acid, 4-hydroxy-
  • Benzenepropanoic acid, 4-hydroxy- (9CI)
  • Hydrocinnamic acid, p-hydroxy-

Registry Numbers

CAS Registry Number

  • 501-97-3

FDA UNII

  • 6QNC6P18SR

System Generated Number

  • 0000501973

Structure Descriptors

InChI

1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)

InChIKey

NMHMNPHRMNGLLB-UHFFFAOYSA-N

Smiles

c1cc(ccc1CCC(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1809mg/kg (1809mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Oyo Yakuri. Pharmacometrics. Vol. 12, Pg. 265, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 130.8 deg C   EXP
log P (octanol-water) 1.16 (none)   EXP
Water Solubility 6.18E+04 mg/L 25 EST
Vapor Pressure 2.05E-05 mm Hg 25 EST
Henry's Law Constant 6.11E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.33E-11 cm3/molecule-sec 25 EST

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