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Substance Name: 2,4,6-Trimethylphenol
RN: 527-60-6
UNII: FPZ32614N6
InChIKey: BPRYUXCVCCNUFE-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-O

Molecular Weight

  • 136.1928
 
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Names and Synonyms

Name of Substance

  • 2,4,6-Trimethylphenol

Synonyms

  • 1,3,5-Trimethylphenol
  • 1-Hydroxy-2,4,6-trimethylbenzene
  • 2,4,6-Trimethylofenol
  • 2,4,6-Trimethylofenol [Polish]
  • 2,4,6-Trimethylphenol
  • 2,4,6-Trimetylofenol
  • 2,4,6-Trimetylofenol [Polish]
  • 2-Hydroxymesitylene
  • 4-06-00-03253 (Beilstein Handbook Reference)
  • Benzene, 2-hydroxy-1,3,5-trimethyl-
  • BRN 1859675
  • EINECS 208-419-2
  • HSDB 5677
  • Mesitol
  • Mesityl alcohol
  • NSC 5353
  • Phenol, 2,4,6-trimethyl-
  • UNII-FPZ32614N6

Systematic Names

  • 2,4,6-Trimethylphenol
  • Mesitol
  • Phenol, 2,4,6-trimethyl-

Superlist Names

  • Mesitol
  • Phenol, 2,4,6-trimethyl-

Registry Numbers

CAS Registry Number

  • 527-60-6

FDA UNII

  • FPZ32614N6

System Generated Number

  • 0000527606

Structure Descriptors

InChI

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

InChIKey

BPRYUXCVCCNUFE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 201, 1960.
mouse LD50 oral 10gm/kg (10000mg/kg)   Bromatologia i Chemia Toksykologiczna. Vol. 14, Pg. 301, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 73 deg C   EXP
Boiling Point 220 deg C   EXP
pKa Dissociation Constant 10.86 (none) 25 EXP
log P (octanol-water) 2.73 (none)   EXP
Water Solubility 1200 mg/L 25 EXP
Henry's Law Constant 2.60E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.44E-11 cm3/molecule-sec 25 EST

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