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Substance Name: 5,5-Dimethyl-1,3-cyclohexanedione
RN: 126-81-8
UNII: B2B5DSX2FC
InChIKey: BADXJIPKFRBFOT-UHFFFAOYSA-N

Molecular Formula

  • C8-H12-O2

Molecular Weight

  • 140.181
 
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Names and Synonyms

Name of Substance

  • 5,5-Dimethyl-1,3-cyclohexanedione
  • Dimedone

Synonyms

  • 1,1-Dimethyl-3,5-cyclohexanedione
  • 1,1-Dimethyl-3,5-diketocyclohexane
  • 5,5-Dimethyl-1,3-cyclohexanedione
  • 5,5-Dimethyldihydroresorcinol
  • 5,5-Dimethylhydroresorcinol
  • AI3-19939
  • Cyclomethone
  • Dimedon
  • Dimedone
  • EC 204-804-4
  • EINECS 204-804-4
  • LU 274
  • Medon
  • Methon
  • Methone
  • NSC 14984
  • UNII-B2B5DSX2FC

Systematic Names

  • 1,3-Cyclohexanedione, 5,5-dimethyl-
  • 5,5-Dimethylcyclohexane-1,3-dione

Registry Numbers

CAS Registry Number

  • 126-81-8

FDA UNII

  • B2B5DSX2FC

System Generated Number

  • 0000126818

Structure Descriptors

InChI

1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3

InChIKey

BADXJIPKFRBFOT-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 28, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 150 dec deg C   EXP
log P (octanol-water) 1.300 (none)   EST
Water Solubility 4160 mg/L 25 EXP
Vapor Pressure 0.064 mm Hg 25 EST
Henry's Law Constant 3.44E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.58E-12 cm3/molecule-sec 25 EST

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