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Substance Name: 4-Ethoxybenzoic acid
RN: 619-86-3
UNII: TZR23XEQ7W
InChIKey: SHSGDXCJYVZFTP-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O3

Molecular Weight

  • 166.175
 
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Names and Synonyms

Name of Substance

  • 4-Ethoxybenzoic acid

Synonyms

  • 4-Ethoxybenzoic acid
  • AI3-20152
  • Benzoic acid, 4-ethoxy-
  • EINECS 210-616-3
  • NSC 8705
  • p-Ethoxybenzoic acid
  • UNII-TZR23XEQ7W

Systematic Names

  • 4-Ethoxybenzoic acid
  • Benzoic acid, 4-ethoxy-
  • Benzoic acid, p-ethoxy- (8CI)

Registry Numbers

CAS Registry Number

  • 619-86-3

FDA UNII

  • TZR23XEQ7W

System Generated Number

  • 0000619863

Structure Descriptors

InChI

1S/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)

InChIKey

SHSGDXCJYVZFTP-UHFFFAOYSA-N

Smiles

c1(ccc(OCC)cc1)C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 197-199 deg C   EXP
pKa Dissociation Constant 4.8 (none) 20 EXP
log P (octanol-water) 2.39 (none)   EXP
Water Solubility 583 mg/L 25 EST
Vapor Pressure 5.34E-04 mm Hg 25 EST
Henry's Law Constant 8.52E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.47E-11 cm3/molecule-sec 25 EST

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