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| | 1,2,4,5-Tetramethylbenzene Basic information |
| Product Name: | 1,2,4,5-Tetramethylbenzene | | Synonyms: | 1,2,4,5-tetramethyl-benzen;2,5-dimethyl-p-xylen;1,2,4,5-Tetramethylbenzene, 97+%;1,2,4,5-Tetramethylbenzene Zone Refined (number of passes:23);Durene,1,2,4,5-Tetramethylbenzene;Durene 5g [95-93-2];1,2,4,5-Tetramethylbenzene,1,2,4,5-Tetramethylbenzene, Durene;1,2,4,5-Tetramethylb | | CAS: | 95-93-2 | | MF: | C10H14 | | MW: | 134.22 | | EINECS: | 202-465-7 | | Product Categories: | Arenes;Building Blocks;Chemical Synthesis;Organic Building Blocks;Highly Purified Reagents;Other Categories;Zone Refined Products | | Mol File: | 95-93-2.mol |  |
| | 1,2,4,5-Tetramethylbenzene Chemical Properties |
| Melting point | 78 °C | | Boiling point | 196-197 °C | | density | 0.838 g/mL at 25 °C(lit.) | | vapor density | 4.6 (vs air) | | vapor pressure | 160 mm Hg ( 140 °C) | | refractive index | 1.5093 | | Fp | 165 °F | | storage temp. | Flammables area | | solubility | 0.00348g/l | | form | crystals | | Specific Gravity | 0.838 | | color | White to Almost white | | Odor | rancid sweet | | Water Solubility | insoluble | | Specific Heat Capacity | Cp(crystal): 1.6 J/(g·K), at 25℃ | | Merck | 14,3468 | | BRN | 1903393 | | Henry's Law Constant | 2.49 at 25 °C (approximate - calculated from water solubility and vapor pressure) | | InChI | 1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3 | | InChIKey | SQNZJJAZBFDUTD-UHFFFAOYSA-N | | SMILES | Cc1cc(C)c(C)cc1C | | LogP | 4.000 | | CAS DataBase Reference | 95-93-2(CAS DataBase Reference) | | NIST Chemistry Reference | Benzene, 1,2,4,5-tetramethyl-(95-93-2) | | EPA Substance Registry System | 1,2,4,5-Tetramethylbenzene (95-93-2) |
| Hazard Codes | F,N | | Risk Statements | 11-53-50 | | Safety Statements | 16-61 | | RIDADR | UN 1325 4.1/PG 2 | | WGK Germany | 1 | | RTECS | DC0500000 | | TSCA | TSCA listed | | HazardClass | 4.1 | | PackingGroup | III | | HS Code | 29029080 | | Storage Class | 4.1B - Flammable solid hazardous materials | | Hazard Classifications | Aquatic Acute 1
Aquatic Chronic 1
Flam. Sol. 1 | | Toxicity | LD50 orally in Rabbit: 6700 mg/kg |
| | 1,2,4,5-Tetramethylbenzene Usage And Synthesis |
| Chemical Properties | white to brown semi-transparent crystals | | Physical properties | Colorless crystals or scales with a camphor-like odor | | Uses | Plasticizers; polymers; fibers; organic synthesis. | | Uses | 1,2,4,5-Tetramethylbenzene is used in method for reducing odor in room in remodeling work by removing causative substances. | | Definition | ChEBI: Durene is a tetramethylbenzene carrying methyl groups at positions 1, 2, 4 and 5. | | General Description | Colorless crystals with a camphor-like odor. | | Air & Water Reactions | Insoluble in water. | | Reactivity Profile | Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as 1,2,4,5-Tetramethylbenzene, and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction. | | Synthesis | Even tetramethylbenzene is one of the components of coal tar, originally prepared from metatrimethylbenzene in 1870. It is obtained by the methylation reaction of other toluene, such as p-xylene or meta-trimethylbenzene.
C6H4(CH3)2 + 2CH3Cl → C6H2(CH3)4 + 2 HCl
Industrially produced using the alkylation reaction of xylene with trimethylbenzene and methanol. Homotetramethylene can be selectively crystallized from its isomers based on its high melting point. Primitive syntheses include similar reactions with toluene as a feedstock.
| | Purification Methods | Chromatograph durene on alumina, and recrystallise it from aqueous EtOH or *benzene. Zone-refining removes duroaldehydes. Dry it under vacuum. [Yamauchi et al. J Phys Chem 89 4804 1985.] It has also been sublimed in vacuo [Johnston et al. J Am Chem Soc 109 1291 1987]. [Beilstein 5 H 431, 5 I 207, 5 II 329, 5 III 979, 5 IV 1076.] | | Toxics Screening Level | The initial threshold screening level (ITSL) for 1,2,4,5-tetramethyl benzene is 20 μg/m3 (annual averaging time). |
| | 1,2,4,5-Tetramethylbenzene Preparation Products And Raw materials |
| Raw materials | Sodium hydroxide-->Methanol-->Aluminium chloride hexahydrate-->Chloromethane-->m-Xylene-->1,2,4-Trimethylbenzene-->tetramethylbenzene-->Ethanone, 1-(2,3,4,6-tetramethylphenyl)--->2,3-Dimethyl-2-cyclopenten-1-one-->2,3,4-trimethylcyclopent-2-en-1-one-->Pentamethylbenzene | | Preparation Products | Mesitylene-->2,3,5,6-Tetramethylbenzaldehyde-->Pyromellitic Dianhydride-->Pyromellitic acid-->1,2,3,4-Tetramethylbenzene-->2,3,5,6-Tetramethylbenzenesulfonyl chloride-->Tetramethylterephthalic acid-->2,3,5,6-Tetramethyl phenol-->2,4-Dimethylpentane |
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