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
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ChEBI: A methylbenzene that is benzene in which all six hydrogens have been replaced by methyl groups.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) |
Flame Flammables GHS02 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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