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HomeProduct name listHEXAMETHYLBENZENE

HEXAMETHYLBENZENE

  • CAS NO.:87-85-4
  • Empirical Formula: C12H18
  • Molecular Weight: 162.27
  • MDL number: MFCD00008523
  • EINECS: 201-777-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-06-05 17:10:12
HEXAMETHYLBENZENE Structural

What is HEXAMETHYLBENZENE?

Chemical properties

white to light yellow crystalline powder or

The Uses of HEXAMETHYLBENZENE

Hexamethylbenzene is used as pharmaceutical intermediates, in organic synthesis of compounds, as a solvent for He-NMR spectroscopy. Used as a ligand in organometallic chemistry. Reaction with dimethyldioxirane, gives the major product, an unusual oxepane triepoxide.

Definition

ChEBI: A methylbenzene that is benzene in which all six hydrogens have been replaced by methyl groups.

General Description

Hexamethylbenzene (HMB) is a methyl benzene derivative. Its overtone spectra in carbon tetrachloride solution shows doublet structure due to two types of configurationally inequivalent hydrogens. The heat of solution of crystalline HMB has been obtained at 25°C from which the heat of fusion has been deduced by extrapolation process. The internal motion of the methyl groups has been explained by empirical force field calculations. Polarized Raman spectra of HMB at room temperature have been analyzed.

Hazard

Combustible.

Purification Methods

Sublime hexamethylbenzene, then crystallise it from abolute EtOH, *benzene, EtOH/*benzene or EtOH/cyclohexane. It has also been purified by zone melting. Dry it in a vacuum over P2O5. [Beilstein 5 H 450, 5 IV 1137.]

Properties of HEXAMETHYLBENZENE

Melting point: 164-166 °C (lit.)
Boiling point: 264 °C (lit.)
Density  1,063 g/cm3
refractive index  1.4842
Flash point: 265°C
form  Crystalline Powder or Crystals, Needles
color  White to light yellow
Water Solubility  Insoluble in water
BRN  1905834
CAS DataBase Reference 87-85-4(CAS DataBase Reference)
EPA Substance Registry System Hexamethylbenzene (87-85-4)

Safety information for HEXAMETHYLBENZENE

Signal word Warning
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Corrosion
Corrosives
GHS05
GHS Hazard Statements H413:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

Computed Descriptors for HEXAMETHYLBENZENE

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