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Substance Name: 2,5-Dimethyl-4-benzoquinone
RN: 137-18-8
UNII: 18D1OR9CE1
InChIKey: MYKLQMNSFPAPLZ-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Experimental Pesticide
  • Mutation Data
  • Unspecified / Unclassified Pesticide

Molecular Formula

  • C8-H8-O2

Molecular Weight

  • 136.149
 
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Names and Synonyms

Name of Substance

  • 2,5-Dimethyl-4-benzoquinone

Synonyms

  • 2,5-Dimethyl-1,4-benzochinon
  • 2,5-Dimethyl-1,4-benzochinon [Czech]
  • 2,5-Dimethyl-1,4-benzoquinone
  • 2,5-Dimethyl-p-benzoquinone
  • 2,5-Dimetilbenzochinone (1:4)
  • 2,5-Dimetilbenzochinone (1:4) [Italian]
  • 2,5-Xyloquinone
  • 3,6-Dimethyl-p-benzoquinone
  • AI3-61044
  • BENZOQUINONE, 2, 5-DIMETHYL-(PHLORONE)
  • CCRIS 7150
  • EINECS 205-283-6
  • Floron
  • Floron [Czech]
  • Florone
  • Florone [Italian]
  • NSC 15309
  • p-Xyloquinone
  • Phlorone
  • UNII-18D1OR9CE1

Systematic Names

  • 2,5-Cyclohexadiene-1,4-dione, 2,5-dimethyl-
  • 2,5-Dimethyl-2,5-cyclohexadiene-1,4-dione
  • 2,5-Dimethyl-p-benzoquinone
  • p-Benzoquinone, 2,5-dimethyl-

Registry Numbers

CAS Registry Number

  • 137-18-8

FDA UNII

  • 18D1OR9CE1

System Generated Number

  • 0000137188

Structure Descriptors

InChI

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

InChIKey

MYKLQMNSFPAPLZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 11mg/kg (11mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Bollettino Chimico Farmaceutico. Vol. 97, Pg. 533, 1958.
mouse LD50 oral 290mg/kg (290mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Bollettino Chimico Farmaceutico. Vol. 97, Pg. 533, 1958.
mouse LD50 subcutaneous 43mg/kg (43mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Bollettino Chimico Farmaceutico. Vol. 97, Pg. 533, 1958.
rat LDLo oral 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 39, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.28 (none)   EXP
Water Solubility 7010 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 2.16E-11 cm3/molecule-sec 25 EST

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