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Substance Name: p-Anisic acid
RN: 100-09-4
UNII: 4SB6Y7DMM3
InChIKey: ZEYHEAKUIGZSGI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H8-O3

Molecular Weight

  • 152.1482
 
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Names and Synonyms

Name of Substance

  • 4-Anisic acid
  • Benzoic acid, 4-methoxy-
  • p-Anisic acid
  • p-Methoxybenzoic acid

Synonyms

  • 4-10-00-00346 (Beilstein Handbook Reference)
  • 4-Anisic acid
  • 4-Methoxybenzoic acid
  • AI3-00893
  • Anisic acid, p-isomer
  • ANISIC ACID, PARA
  • BRN 0508910
  • Draconic acid
  • EINECS 202-818-5
  • Kyselina 4-methoxybenzoova
  • Kyselina 4-methoxybenzoova [Czech]
  • NSC 32742
  • p-Methoxybenzoic acid
  • UNII-4SB6Y7DMM3

Systematic Names

  • Benzoic acid, 4-methoxy-
  • p-Anisic acid
  • p-Methoxybenzoic acid

Registry Numbers

CAS Registry Number

  • 100-09-4

FDA UNII

  • 4SB6Y7DMM3

Related Registry Numbers

  • 52509-81-6 (potassium)
  • 536-45-8 (sodium)
  • 73424-02-9 (copper+2)

System Generated Number

  • 0000100094

Structure Descriptors

InChI

InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)

InChIKey

ZEYHEAKUIGZSGI-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 400mg/kg (400mg/kg)   Cesko-Slovenska Farmacie. Vol. 31, Pg. 236, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 185 deg C   EXP
Boiling Point 276.5 deg C   EXP
pKa Dissociation Constant 4.47 (none) 25 EXP
log P (octanol-water) 1.96 (none)   EXP
Water Solubility 530 mg/L 37 EXP
Vapor Pressure 1.50E-03 mm Hg 25 EST
Henry's Law Constant 6.41E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.31E-12 cm3/molecule-sec 25 EST

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