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Substance Name: 2,6-Di-t-butyl-p-benzoquinone
RN: 719-22-2
UNII: 4C9D8L0Y0T
InChIKey: RDQSIADLBQFVMY-UHFFFAOYSA-N

Molecular Formula

  • C14-H20-O2

Molecular Weight

  • 220.31
 
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Names and Synonyms

Name of Substance

  • 2,6-Di-t-butyl-p-benzoquinone

Synonyms

  • 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)-
  • 2,6-Bis(1,1-dimethylethyl)-2,5-cyclohexadiene-1,4-dione
  • 2,6-Di-t-butyl-1,4-benzoquinone
  • 2,6-Di-tert-butyl-1,4-benzoquinone
  • 2,6-Di-tert-butyl-p-benzoquinone
  • 2,6-Di-tert-butylbenzoquinone
  • 2,6-Di-tert-butylquinone
  • AI3-61049
  • CCRIS 7070
  • DBQ
  • EINECS 211-946-0
  • HSDB 2775
  • NSC 14448
  • p-Benzoquinone, 2,6-di-tert-butyl-
  • UNII-4C9D8L0Y0T

Systematic Names

  • 2,5-Cyclohexadien-1,4-dione, 2,6-bis(1,1-dimethylethyl)-
  • 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)-
  • 2,6-Di-tert-butyl-1,4-benzoquinone
  • 2,6-Di-tert-butyl-p-benzoquinone
  • p-Benzoquinone, 2,6-di-tert-butyl-

Registry Numbers

CAS Registry Number

  • 719-22-2

FDA UNII

  • 4C9D8L0Y0T

System Generated Number

  • 0000719222

Structure Descriptors

InChI

1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3

InChIKey

RDQSIADLBQFVMY-UHFFFAOYSA-N

Smiles

C=1(C(C(C(C)(C)C)=CC(C1)=O)=O)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2270mg/kg (2270mg/kg) SENSE ORGANS AND SPECIAL SENSES: ULCERATED NASAL SEPTUM: OLFACTION

BLOOD: HEMORRHAGE

SENSE ORGANS AND SPECIAL SENSES: HEMORRHAGE: EYE
Toxicology Letters. Vol. 6, Pg. 173, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 65-67 deg C   EXP
log P (octanol-water) 4.42 (none)   EXP
Water Solubility 11.6 mg/L 25 EST
Vapor Pressure 4.11E-04 mm Hg 25 EST
Henry's Law Constant 1.64E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.23E-11 cm3/molecule-sec 25 EST

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