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Substance Name: 4,6-Di-tert-butyl-3-methylphenol
RN: 497-39-2
UNII: TMY866FL30
InChIKey: WYSSJDOPILWQDC-UHFFFAOYSA-N

Molecular Formula

  • C15-H24-O

Molecular Weight

  • 220.3536
 
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Names and Synonyms

Name of Substance

  • 4,6-Di-tert-butyl-3-methylphenol
  • DBMC

Synonyms

  • 2,4-Bis(1,1-dimethylethyl)-5-methylphenol
  • 2,4-Di-t-butyl-5-methylphenol
  • 3-Methyl-4,6-di-tert-butylphenol
  • 4,6-Di-t-butyl-m-cresol
  • 4,6-Di-tert-butyl-3-methylphenol
  • 4,6-Di-tert-butyl-m-cresol
  • 4-06-00-03510 (Beilstein Handbook Reference)
  • AI3-15481
  • BRN 2094885
  • DBMC
  • Di-tert-butyl-m-cresol
  • EINECS 207-847-7
  • HSDB 5669
  • m-Cresol, 4,6-di-tert-butyl-
  • Phenol, 2,4-bis(1,1-dimethylethyl)-5-methyl-
  • UNII-TMY866FL30

Systematic Names

  • 4,6-Di-tert-butyl-m-cresol
  • m-Cresol, 4,6-di-tert-butyl-
  • Phenol, 2,4-bis(1,1-dimethylethyl)-5-methyl-

Registry Numbers

CAS Registry Number

  • 497-39-2

FDA UNII

  • TMY866FL30

System Generated Number

  • 0000497392

Structure Descriptors

InChI

1S/C15H24O/c1-10-8-13(16)12(15(5,6)7)9-11(10)14(2,3)4/h8-9,16H,1-7H3

InChIKey

WYSSJDOPILWQDC-UHFFFAOYSA-N

Smiles

Cc1cc(c(cc1C(C)(C)C)C(C)(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1420mg/kg (1420mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
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 62.1 deg C   EXP
Boiling Point 282 deg C   EXP
log P (octanol-water) 5.880 (none)   EST
Atmospheric OH Rate Constant 1.27E-10 cm3/molecule-sec 25 EST

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