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Substance Name: 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-
RN: 935-92-2
UNII: O26GU14U9E
InChIKey: QIXDHVDGPXBRRD-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O2

Molecular Weight

  • 150.176
 
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Names and Synonyms

Name of Substance

  • 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-

Synonyms

  • 2,3,5-Trimethyl-1,4-benzoquinone
  • 2,3,5-Trimethyl-2,5-cyclohexadien-1,4-dione
  • 2,3,5-Trimethyl-p-benzoquinone
  • 2,3,5-Trimethylbenzoquinone
  • 2,3,5-Trimethylquinone
  • 2,3,6-Trimethyl-p-benzoquinone
  • 2,3,6-Trimethylbenzoquinone
  • Benzoquinone, trimethyl- (6CI)
  • Cumoquinone
  • EINECS 213-309-2
  • NSC 93919
  • p-Pseudocumoquinone
  • Pseudocumoquinone
  • Trimethyl-1,4-benzoquinone
  • Trimethyl-p-benzoquinone
  • Trimethyl-p-quinone
  • Trimethylbenzoquinone
  • Trimethylchinon
  • Trimethylchinon [German]
  • Trimethylquinone
  • UNII-O26GU14U9E

Systematic Names

  • 2,3,6-Trimethyl-p-benzoquinone
  • 2,5-Cyclohexadien-1,4-dione, 2,3,5-trimethyl-
  • 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-
  • p-Benzoquinone, 2,3,5-trimethyl- (8CI)

Registry Numbers

CAS Registry Number

  • 935-92-2

FDA UNII

  • O26GU14U9E

System Generated Number

  • 0000935922

Structure Descriptors

InChI

1S/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H3

InChIKey

QIXDHVDGPXBRRD-UHFFFAOYSA-N

Smiles

CC1=CC(=O)C(=C(C1=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 18mg/kg (18mg/kg) GASTROINTESTINAL: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0529741-1,
mouse LD50 oral 200mg/kg (200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: TREMOR
National Technical Information Service. Vol. OTS0545315,
rabbit LD50 skin > 200mg/kg (200mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0291-1191,
rat LD50 intraperitoneal 25mg/kg (25mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0545315,
rat LD50 oral 200mg/kg (200mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0545315,
rat LDLo skin 200mg/kg (200mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0291-1191,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.82 (none)   EXP
Water Solubility 2110 mg/L 25 EST
Vapor Pressure 8.22E-03 mm Hg 25 EST
Henry's Law Constant 4.69E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.45E-11 cm3/molecule-sec 25 EST

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