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Substance Name: 2,4-Di-tert-butylphenol
RN: 96-76-4
UNII: FOB94G6HZT
InChIKey: ICKWICRCANNIBI-UHFFFAOYSA-N

Molecular Formula

  • C14-H22-O

Molecular Weight

  • 206.327
 
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Names and Synonyms

Name of Substance

  • 2,4-Di-tert-butylphenol

Synonyms

  • 1-Hydroxy-2,4-di-tert-butylbenzene
  • 2,4-Di-tert-butylphenol
  • 4-06-00-03493 (Beilstein Handbook Reference)
  • Antioxidant No. 33
  • BRN 1910383
  • EC 202-532-0
  • EINECS 202-532-0
  • NSC 174502
  • Phenol, 2,4-di(1,1-dimethylethyl)-
  • Prodox 146
  • Prodox 146A-85X
  • UNII-FOB94G6HZT

Systematic Names

  • 2,4-Di-tert-butylphenol
  • Phenol, 2,4-bis(1,1-dimethylethyl)-
  • Phenol, 2,4-di-tert-butyl-

Superlist Name

  • Phenol, 2,4-di-tert-butyl-

Registry Numbers

CAS Registry Number

  • 96-76-4

FDA UNII

  • FOB94G6HZT

Other Registry Numbers

  • 50356-26-8
  • 652152-53-9

System Generated Number

  • 0000096764

Structure Descriptors

InChI

1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3

InChIKey

ICKWICRCANNIBI-UHFFFAOYSA-N

Smiles

c1(cc(ccc1O)C(C)(C)C)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 intravenous 100mg/kg (100mg/kg) BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 56.5 deg C   EXP
Boiling Point 263.5 deg C   EXP
pKa Dissociation Constant 11.72 (none) 20 EXP
log P (octanol-water) 5.19 (none)   EXP
Water Solubility 35 mg/L 25 EXP
Henry's Law Constant 3.74E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.91E-11 cm3/molecule-sec 25 EST

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