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Substance Name: Pentamethylbenzene
RN: 700-12-9
UNII: H6JLD3AI98
InChIKey: BEZDDPMMPIDMGJ-UHFFFAOYSA-N

Note

  • Induces hepatic microsomal cytochrome P-450 & associated monooxygenases.

Molecular Formula

  • C11-H16

Molecular Weight

  • 148.247
 
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Names and Synonyms

Name of Substance

  • Pentamethylbenzene

Synonyms

  • 1,2,3,4,5-Pentamethylbenzene
  • EINECS 211-837-8
  • NSC 1889
  • Pentamethylbenzene
  • UNII-H6JLD3AI98

Systematic Names

  • Benzene, 1,2,3,4,5-pentamethyl-
  • Benzene, pentamethyl-
  • Pentamethylbenzene

Registry Numbers

CAS Registry Number

  • 700-12-9

FDA UNII

  • H6JLD3AI98

System Generated Number

  • 0000700129

Structure Descriptors

InChI

1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3

InChIKey

BEZDDPMMPIDMGJ-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 54.5 deg C   EXP
Boiling Point 232 deg C   EXP
log P (octanol-water) 4.56 (none)   EXP
Water Solubility 15.5 mg/L   EXP
Vapor Pressure 0.0348 mm Hg 20 EXP
Henry's Law Constant 4.38E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.28E-11 cm3/molecule-sec 25 EST

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