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Substance Name: 2,3,5-Trimethylphenol
RN: 697-82-5
UNII: 1S1061ZBQ1
InChIKey: OGRAOKJKVGDSFR-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-O

Molecular Weight

  • 136.193
 
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Names and Synonyms

Name of Substance

  • 2,3,5-Trimethylphenol

Synonyms

  • 1-Hydroxy-2,3,5-trimethylbenzene
  • 2,3,5-Trimethylphenol
  • EINECS 211-806-9
  • Isopseudocumenol
  • NSC 5296
  • UNII-1S1061ZBQ1

Systematic Names

  • 2,3,5-Trimethylphenol
  • Phenol, 2,3,5-trimethyl-

Registry Numbers

CAS Registry Number

  • 697-82-5

FDA UNII

  • 1S1061ZBQ1

System Generated Number

  • 0000697825

Structure Descriptors

InChI

InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3

InChIKey

OGRAOKJKVGDSFR-UHFFFAOYSA-N

Smiles

Cc1cc(C)c(C)c(O)c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 93.5 deg C   EXP
Boiling Point 230.5 deg C   EXP
pKa Dissociation Constant 10.67 (none) 25 EXP
log P (octanol-water) 3.150 (none)   EST
Water Solubility 762 mg/L 25 EXP
Henry's Law Constant 7.53E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

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