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Substance Name: 2,4,6-Tris(1,1-dimethylethyl)phenol
RN: 732-26-3
UNII: 99J2VIC675
InChIKey: PFEFOYRSMXVNEL-UHFFFAOYSA-N

Molecular Formula

  • C18-H30-O

Molecular Weight

  • 262.434
 
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Names and Synonyms

Name of Substance

  • 2,4,6-Tri-tert-butylphenol
  • 2,4,6-Tris(1,1-dimethylethyl)phenol

Synonyms

  • 2,4,6-Tri-t-butylphenol
  • 2,4,6-Tri-tert-butyl-1-hydroxybenzene
  • 2,4,6-Tri-tert-butylphenol
  • 2,4,6-Tris(tert-butyl)phenol
  • Alkofen B
  • CCRIS 5845
  • EC 211-989-5
  • EINECS 211-989-5
  • HSDB 7727
  • NSC 14459
  • P 23
  • P23
  • TM02
  • Tris(1,1-dimethylethyl)phenol
  • UNII-99J2VIC675
  • Voidox

Systematic Names

  • 2,4,6-Tri-tert-butylphenol
  • 2,4,6-Tris(1,1-dimethylethyl)phenol
  • Phenol, 2,4,6-tri-tert-butyl- (6CI,7CI,8CI)
  • Phenol, 2,4,6-tris(1,1-dimethylethyl)-
  • Phenol, tris(1,1-dimethylethyl)-

Superlist Name

  • Phenol, 2,4,6-tri-tert-butyl-

Registry Numbers

CAS Registry Number

  • 732-26-3

FDA UNII

  • 99J2VIC675

Other Registry Numbers

  • 11100-56-4
  • 1333-60-4
  • 19879-87-9
  • 50356-20-2
  • 53320-88-0

System Generated Number

  • 0000732263

Structure Descriptors

InChI

1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3

InChIKey

PFEFOYRSMXVNEL-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1)C(C)(C)C)C(C)(C)C)O)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1670mg/kg (1670mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LIVER: OTHER CHANGES

BEHAVIORAL: ATAXIA
Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 131 deg C   EXP
Boiling Point 278 deg C   EXP
pKa Dissociation Constant 12.19 (none) 25 EXP
log P (octanol-water) 6.06 (none)   EXP
Water Solubility 35 mg/L 25 EXP
Henry's Law Constant 9.65E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.60E-11 cm3/molecule-sec 25 EST

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