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Substance Name: Durene
RN: 95-93-2
UNII: 181426CFYB
InChIKey: SQNZJJAZBFDUTD-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative

Molecular Formula

  • C10-H14

Molecular Weight

  • 134.221
 
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Names and Synonyms

Name of Substance

  • Durene

Synonyms

  • 1,2,4,5-Tetramethylbenzene
  • AI3-25182
  • CCRIS 8660
  • Durene
  • Durol
  • EINECS 202-465-7
  • NSC 6770
  • UNII-181426CFYB

Systematic Names

  • 1,2,4,5-Tetramethylbenzene
  • Benzene, 1,2,4,5-tetramethyl-
  • p-Xylene, 2,5-dimethyl-

Superlist Name

  • Benzene, 1,2,4,5-tetramethyl-

Registry Numbers

CAS Registry Number

  • 95-93-2

FDA UNII

  • 181426CFYB

System Generated Number

  • 0000095932

Structure Descriptors

InChI

InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3

InChIKey

SQNZJJAZBFDUTD-UHFFFAOYSA-N

Smiles

Cc1cc(C)c(C)cc1C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00212,
rat LD50 oral 6989mg/kg (6989mg/kg) BLOOD: HEMORRHAGE

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Drug and Chemical Toxicology. Vol. 1, Pg. 219, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 79.3 deg C   EXP
Boiling Point 196.8 deg C   EXP
log P (octanol-water) 4 (none)   EXP
Water Solubility 3.48 mg/L 25 EXP
Henry's Law Constant 7.99E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.05E-11 cm3/molecule-sec 25 EST

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