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Substance Name: 2,3-Dimethyl-2,5-cyclohexadiene-1,4 dione
RN: 526-86-3
InChIKey: AIACLXROWHONEE-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H8-O2

Molecular Weight

  • 136.1492
 
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Names and Synonyms

Name of Substance

  • 2,3-Dimethyl-2,5-cyclohexadiene-1,4 dione

Synonyms

  • 2,3-Dimethyl-1,4-benzoquinone
  • 2,3-Dimethyl-2,5-cyclohexadiene-1,4-dione
  • 2,3-Dimethyl-p-benzoquinone
  • 2,3-Dimethyl-p-quinone
  • 2,3-Dimethylbenzoquinone
  • 2,3-Dimethylquinone
  • NSC 402192
  • o-Xyloquinone

Systematic Names

  • 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethyl- (9CI)
  • p-Benzoquinone, 2,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 526-86-3

System Generated Number

  • 0000526863

Structure Descriptors

InChI

1S/C8H8O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3

InChIKey

AIACLXROWHONEE-UHFFFAOYSA-N

Smiles

CC1=C(C(=O)C=CC1=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 55 deg C   EXP
log P (octanol-water) 1.23 (none)   EXP
Water Solubility 7730 mg/L 25 EST
Vapor Pressure 0.024 mm Hg 25 EST
Henry's Law Constant 3.00E-09 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.