Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

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
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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

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

InChIKey

MYKLQMNSFPAPLZ-UHFFFAOYSA-N

Smiles

C=1(C(C=C(C)C(C1)=O)=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.