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| HEXAMETHYLBENZENE Basic information |
| Product Name: | HEXAMETHYLBENZENE | | Synonyms: | 1,2,3,4,5,6-Hexamethylbenzene;Hexamethylbenzene, 98+%;HexaMethylbenzene purified by subliMation, >=99%;HexaMethylbenz;Hexamethylbenzene Zone Refined;HexaMethylbenzene, 98+% 25GR;HexaMethylbenzene, 98+% 5GR;benzene,hexamethyl- | | CAS: | 87-85-4 | | MF: | C12H18 | | MW: | 162.27 | | EINECS: | 201-777-0 | | Product Categories: | Highly Purified Reagents;Other Categories;Zone Refined Products;Arenes;Building Blocks;Organic Building Blocks | | Mol File: | 87-85-4.mol |
| HEXAMETHYLBENZENE Chemical Properties |
| Melting point | 164-166 °C (lit.) | | Boiling point | 264 °C (lit.) | | density | 1,063 g/cm3 | | refractive index | 1.4842 | | Fp | 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 Statements | 24/25 | | WGK Germany | 3 | | RTECS | DA3200000 | | TSCA | Yes | | HS Code | 29029090 |
| HEXAMETHYLBENZENE Usage And Synthesis |
| Chemical Properties | white to light yellow crystalline powder or | | Uses | 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 | | Definition | ChEBI: A methylbenzene that is benzene in which all six hydrogens have been replaced by methyl groups.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.] |
| HEXAMETHYLBENZENE Preparation Products And Raw materials |
| Raw materials | Quartz-->Benzene,1,1'-methylenebis[2,3,4,5,6-pentamethyl- (9CI) | | Preparation Products | (2,3,4,5,6-pentamethylphenyl)methyl acetate-->1(3H)-Isobenzofuranone, 4,5,6,7-tetramethyl--->2,3,4,5,6-PENTAMETHYLBENZYL ALCOHOL-->PENTAMETHYLBENZALDEHYDE-->2,3,4,5,6-PENTAMETHYLBENZYL CHLORIDE-->Pentamethylbenzene-->2,4-DIMETHYLPENTANE |
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