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Substance Name: 2-tert-Butyl-6-methylphenol
RN: 2219-82-1
UNII: LT9E3VZD1C
InChIKey: BKZXZGWHTRCFPX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-O

Molecular Weight

  • 164.246
 
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Names and Synonyms

Name of Substance

  • 2-tert-Butyl-6-methylphenol

Synonyms

  • 2-Methyl-6-tert-butylphenol
  • 2-tert-Butyl-6-methylphenol
  • 4-06-00-03396 (Beilstein Handbook Reference)
  • 6-tert-Butyl-2-methylphenol
  • 6-tert-Butyl-o-cresol
  • AI3-26294
  • BRN 1862362
  • EINECS 218-734-7
  • NSC 78461
  • o-tert-Butyl-o-cresol
  • UNII-LT9E3VZD1C

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 2219-82-1

FDA UNII

  • LT9E3VZD1C

System Generated Number

  • 0002219821

Structure Descriptors

InChI

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

InChIKey

BKZXZGWHTRCFPX-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 120mg/kg (120mg/kg) BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 31 deg C   EXP
Boiling Point 230 deg C   EXP
log P (octanol-water) 3.970 (none)   EST
Atmospheric OH Rate Constant 4.98E-11 cm3/molecule-sec 25 EST

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