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Substance Name: 4-tert-Butyl-2,6-xylenol
RN: 879-97-0
UNII: E8BIN7D1D0
InChIKey: MEPYMUOZRROULQ-UHFFFAOYSA-N

Molecular Formula

  • C12-H18-O

Molecular Weight

  • 178.2732
 
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Names and Synonyms

Name of Substance

  • 4-tert-Butyl-2,6-xylenol

Synonyms

  • 2,6-Dimethyl-4-tert-butylphenol
  • 2,6-Xylenol, 4-tert-butyl-
  • 4-tert-Butyl-2,6-dimethylphenol
  • EINECS 212-910-7
  • NSC 48140
  • UNII-E8BIN7D1D0

Systematic Names

  • 4-tert-Butyl-2,6-xylenol
  • Phenol, 4-(1,1-dimethylethyl)-2,6-dimethyl-

Registry Numbers

CAS Registry Number

  • 879-97-0

FDA UNII

  • E8BIN7D1D0

System Generated Number

  • 0000879970

Structure Descriptors

InChI

1S/C12H18O/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7,13H,1-5H3

InChIKey

MEPYMUOZRROULQ-UHFFFAOYSA-N

Smiles

Cc1cc(cc(c1O)C)C(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 82.4 deg C   EXP
Boiling Point 248 deg C   EXP
log P (octanol-water) 4.520 (none)   EST
Atmospheric OH Rate Constant 2.11E-11 cm3/molecule-sec 25 EST

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