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Substance Name: 4-Methylcatechol
RN: 452-86-8
UNII: 12GLI7JGB3
InChIKey: ZBCATMYQYDCTIZ-UHFFFAOYSA-N

Classification Codes

  • Antioxidants
  • Carcinogens
  • Central Nervous System Agents
  • Mutation Data
  • Neuroprotective Agents
  • Noxae
  • Protective Agents
  • Tumor Data

Molecular Formula

  • C7-H8-O2

Molecular Weight

  • 124.138
 
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Names and Synonyms

Name of Substance

  • 4-Methylcatechol

Synonyms

  • 1,2-Dihydroxy-4-methylbenzene
  • 3,4-Dihydroxytoluene
  • 4-06-00-05878 (Beilstein Handbook Reference)
  • 4-Methyl-1,2-benzenediol
  • 4-Methyl-1,2-dihydroxybenzene
  • 4-Methylcatechol
  • 4-Methylpyrocatechol
  • BRN 0636512
  • CCRIS 3333
  • EINECS 207-214-5
  • Homocatechol
  • Homopyrocatechol
  • NSC 17489
  • p-Methylcatechol
  • p-Methylpyrocatechol
  • Toluene-3,4-diol
  • UNII-12GLI7JGB3

Systematic Names

  • 1,2-Benzenediol, 4-methyl-
  • 4-Methylpyrocatechol
  • p-Methylcatechol
  • Pyrocatechol, 4-methyl-

Registry Numbers

CAS Registry Number

  • 452-86-8

FDA UNII

  • 12GLI7JGB3

System Generated Number

  • 0000452868

Structure Descriptors

InChI

InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3

InChIKey

ZBCATMYQYDCTIZ-UHFFFAOYSA-N

Smiles

Cc1ccc(O)c(O)c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 65 deg C   EXP
Boiling Point 251 deg C   EXP
log P (octanol-water) 1.37 (none)   EXP
Water Solubility 2.49E+04 mg/L 25 EST
Vapor Pressure 2.80E-03 mm Hg 25 EST
Henry's Law Constant 6.44E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.56E-10 cm3/molecule-sec 27 EXP

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