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Substance Name: 2-(1,1-Dimethylethyl)-5-methylphenol
RN: 88-60-8
UNII: UXV32MJ2CA
InChIKey: XOUQAVYLRNOXDO-UHFFFAOYSA-N

Molecular Formula

  • C11-H16-O

Molecular Weight

  • 164.2464
 
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Names and Synonyms

Name of Substance

  • 2-(1,1-Dimethylethyl)-5-methylphenol

Synonyms

  • 2-(1,1-Dimethylethyl)-5-methylphenol
  • 2-tert-Butyl-5-methylphenol
  • 3-Methyl-6-tert-butylphenol
  • 4-06-00-03400 (Beilstein Handbook Reference)
  • 5-Methyl-2-tert-butylphenol
  • 6-tert-Butyl-3-methylphenol
  • 6-tert-Butyl-m-cresol
  • Benzene, 1-tert-butyl-2-hydroxy-4-methyl-
  • BRN 1908225
  • EC 201-842-3
  • EINECS 201-842-3
  • HSDB 5260
  • m-Cresol, 6-tert-butyl-
  • NSC 48467
  • Phenol, 2-(1,1-dimethylethyl)-5-methyl-
  • UNII-UXV32MJ2CA

Systematic Names

  • 6-tert-Butyl-m-cresol
  • m-Cresol, 6-tert-butyl- (8CI)
  • Phenol, 2-(1,1-dimethylethyl)-5-methyl-
  • Phenol, 2-tert-butyl-5-methyl-

Superlist Name

  • m-Cresol, 6-tert-butyl-

Registry Numbers

CAS Registry Number

  • 88-60-8

FDA UNII

  • UXV32MJ2CA

System Generated Number

  • 0000088608

Structure Descriptors

InChI

1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3

InChIKey

XOUQAVYLRNOXDO-UHFFFAOYSA-N

Smiles

Cc1ccc(c(c1)O)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1080mg/kg (1080mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 46.5 deg C   EXP
log P (octanol-water) 3.970 (none)   EST
Atmospheric OH Rate Constant 1.05E-10 cm3/molecule-sec 25 EST

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