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Substance Name: Creosol
RN: 93-51-6
UNII: W9GW1KZG6N
InChIKey: PETRWTHZSKVLRE-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H10-O2

Molecular Weight

  • 138.165
 
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Names and Synonyms

Name of Substance

  • Creosol

Synonyms

  • 1-Hydroxy-2-methoxy-4-methylbenzene
  • 2-Methoxy-4-cresol
  • 2-Methoxy-4-methylphenol
  • 2-Methoxy-p-cresol
  • 3-Methoxy-4-hydroxytoluene
  • 4-06-00-05878 (Beilstein Handbook Reference)
  • 4-Hydroxy-3-methoxy-1-methylbenzene
  • 4-Hydroxy-3-methoxytoluene
  • 4-Methyl guaiacol
  • 4-Methyl-2-methoxyphenol
  • 4-Methylguaiacol
  • AI3-15891
  • BRN 1862340
  • Creosol
  • Cresolum drudum
  • EINECS 202-252-9
  • FEMA No. 2671
  • Homocatechol monomethyl ether
  • Homoguaiacol
  • Kreosol
  • Kreosol [German]
  • NSC 4969
  • p-Creosol
  • p-Cresol, 2-methoxy-
  • p-Methylguaiacol
  • Phenol, 2-methoxy-4-methyl-
  • Rohkcrsol
  • UNII-W9GW1KZG6N

Systematic Names

  • 2-Methoxy-p-cresol
  • p-Cresol, 2-methoxy-
  • Phenol, 2-methoxy-4-methyl-
  • Phenol, 3-methoxy-4-methyl-

Superlist Name

  • 2-Methoxy-4-methylphenol

Registry Numbers

CAS Registry Number

  • 93-51-6

FDA UNII

  • W9GW1KZG6N

System Generated Number

  • 0000093516

Structure Descriptors

InChI

1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3

InChIKey

PETRWTHZSKVLRE-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)C)O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 76mg/kg (76mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 164, Pg. 30, 1966.
rat LD50 oral 740mg/kg (740mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Folia Medica Cracoviensia. Vol. 32, Pg. 309, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 5.5 deg C   EXP
Boiling Point 221 deg C   EXP
pKa Dissociation Constant 10.28 (none) 25 EXP
log P (octanol-water) 1.880 (none)   EST
Water Solubility 2090 mg/L 25 EST
Vapor Pressure 0.024 mm Hg 25 EST
Henry's Law Constant 1.33E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.98E-11 cm3/molecule-sec 25 EST

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