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Substance Name: Phenol, 2-isopropyl-6-methyl-
RN: 3228-04-4
InChIKey: KFETUQFRWIVAMU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-O

Molecular Weight

  • 150.22
 
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Names and Synonyms

Synonyms

  • 2-Isopropyl-6-methylphenol
  • 3-06-00-01882 (Beilstein Handbook Reference)
  • BRN 1933783
  • m-Cymen-2-ol
  • o-Thymol

Systematic Names

  • Phenol, 2-isopropyl-6-methyl-
  • Phenol, 2-methyl-6-(1-methylethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 3228-04-4

System Generated Number

  • 0003228044

Structure Descriptors

InChI

1S/C10H14O/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7,11H,1-3H3

InChIKey

KFETUQFRWIVAMU-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1)C)O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 80mg/kg (80mg/kg) BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.45E+01 deg C   EXP
Boiling Point 225.5 deg C   EXP
log P (octanol-water) 3.520 (none)   EST
Water Solubility 8000 mg/L 17 EXP
Atmospheric OH Rate Constant 5.17E-11 cm3/molecule-sec 25 EST

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