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Substance Name: Hexamethylbenzene
RN: 87-85-4
UNII: J8SD5741V8
InChIKey: YUWFEBAXEOLKSG-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C12-H18

Molecular Weight

  • 162.274
 
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Names and Synonyms

Name of Substance

  • Hexamethylbenzene

Synonyms

  • AI3-03275
  • EINECS 201-777-0
  • Hexamethylbenzene
  • Mellitene
  • NSC 3838
  • UNII-J8SD5741V8

Systematic Names

  • Benzene, 1,2,3,4,5,6-hexamethyl-
  • Benzene, hexamethyl-
  • Hexamethylbenzene

Registry Numbers

CAS Registry Number

  • 87-85-4

FDA UNII

  • J8SD5741V8

Other Registry Number

  • 46010-49-5

System Generated Number

  • 0000087854

Structure Descriptors

InChI

1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3

InChIKey

YUWFEBAXEOLKSG-UHFFFAOYSA-N

Smiles

c1(c(c(c(C)c(c1C)C)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 10mL/kg (10mL/kg) LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)"

BLOOD: HEMORRHAGE

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
AMA Archives of Industrial Health. Vol. 19, Pg. 403, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 166.5 deg C   EXP
Boiling Point 263.4 deg C   EXP
log P (octanol-water) 5.11 (none)   EXP
Water Solubility 0.235 mg/L 25 EXP
Vapor Pressure 8.60E-04 mm Hg 25 EXP
Henry's Law Constant 7.81E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.47E-11 cm3/molecule-sec 25 EST

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