1,2,4,5-Tetramethylbenzene

Base Information

• Chemical Name: 1,2,4,5-Tetramethylbenzene
• CAS No.: 95-93-2
• Molecular Formula: C10 H14
• Molecular Weight: 134.221
• Hs Code.: 29029080
• European Community (EC) Number: 202-465-7
• NSC Number: 6770
• UN Number: 1325
• UNII: 181426CFYB
• DSSTox Substance ID: DTXSID1029124
• Nikkaji Number: J4.714G
• Wikipedia: Durene
• Wikidata: Q907919
• Metabolomics Workbench ID: 52230
• ChEMBL ID: CHEMBL1797134
• Mol file: 95-93-2.mol

Synonyms:durene

Chemical Property of 1,2,4,5-Tetramethylbenzene

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 78 °C
• Boiling Point: 192 °C at 760 mmHg
• Flash Point: 73.9 °C
• PSA: 0.00000
• Density: 0.868 g/cm³
• LogP: 2.92020
• Water Solubility.: insoluble
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 134.109550447
• Heavy Atom Count: 10
• Complexity: 80.6
• Transport DOT Label: Flammable Solid

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F:Flammable
• Statements: R11:
• Safety Statements: S16:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aromatic Hydrocarbons
• Canonical SMILES: CC1=CC(=C(C=C1C)C)C

Technology Process of 1,2,4,5-Tetramethylbenzene

There total 163 articles about 1,2,4,5-Tetramethylbenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 16.7%

methanol (67-56-1) → 2,4-dimethylpentane (108-08-7) + 2,3-dimethyl pentane (565-59-3) + Isobutane (75-28-5,40921-86-6) + methylbutane (78-78-4) + 3-methylpentane (96-14-0) + 2-Methylpentane (107-83-5) + 2,3-dimethylbutane (79-29-8) + triptane (464-06-2) + 1,2,4,5-tetramethylbenzene (95-93-2) + 1,2,3,5-Tetramethylbenzene (527-53-7) + pentamethylbenzene, (700-12-9) + Hexamethylbenzene (87-85-4)

Guidance literature:

With isopropyl alcohol; indium (III) iodide; at 200 ℃; for 2 - 3h;

Reference yield:

carbon monoxide (201230-82-2) → methane (34557-54-5,27936-85-2) + ethane (74-84-0) + 1-Methyl-3-ethylbenzene (620-14-4) + carbon dioxide (124-38-9,18923-20-1) + para-xylene (106-42-3) + ethylbenzene (100-41-4,27536-89-6) + 1,2,4-Trimethylbenzene (95-63-6) + 1,2,4,5-tetramethylbenzene (95-93-2) + 1,7-dimethylnaphthalene (575-37-1) + 1-Methylnaphthalene (90-12-0,34475-76-8) + m-xylene (108-38-3,104809-90-7) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

With hydrogen; at 350 ℃; under 24032.3 Torr;

DOI:10.1016/j.apcata.2014.04.044

Reference yield:

carbon monoxide (201230-82-2) → methane (34557-54-5,27936-85-2) + 1-Methyl-3-ethylbenzene (620-14-4) + carbon dioxide (124-38-9,18923-20-1) + para-xylene (106-42-3) + ethylbenzene (100-41-4,27536-89-6) + 1,2,4-Trimethylbenzene (95-63-6) + 1,2,4,5-tetramethylbenzene (95-93-2) + 1,7-dimethylnaphthalene (575-37-1) + 1-Methylnaphthalene (90-12-0,34475-76-8) + m-xylene (108-38-3,104809-90-7) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

With hydrogen; at 350 ℃; under 18860.7 Torr;

DOI:10.1016/j.apcata.2014.04.044

upstream raw materials:

1,2t,4,5-tetramethyl-cyclohex-4-ene-1r,2c-dicarboxylic acid-anhydride

tetrachloromethane

Dimethyl ether

methylene chloride

Downstream raw materials:

4-oxo-4-(2,3,5,6-tetramethyl-phenyl)-butyric acid

3-(chloromethyl)-1,2,4,5-tetramethylbenzene

bis-(2,3,5,6-tetramethyl-phenyl)methane

2,3,5,6-tetramethyl-benzoic acid amide

Refernces

• 1、 Winkler, Irwin C.,Hanson, David M.. "State-Selective Photochemistry from the Higher Excited States of Methylbenzaldehydes: Intermolecular vs. Intramolecular Hydrogen Abstraction". . p. 923 - 925. Retrieved 1984.
• 2、 Dabbagh, H. A.,Hassanpour, J.. "The Selective Conversion of Methyl and Ethyl Acetate to High Content Alkyl Aromatic Hydrocarbons over H-ZSM5". . p. 1284 - 1290. Retrieved 2020/12/02.
• 3、 Dai, Tao,Li, Changzhi,Li, Lin,Zhao, Zongbao Kent,Zhang, Bo,Cong, Yu,Wang, Aiqin. "Selective Production of Renewable para-Xylene by Tungsten Carbide Catalyzed Atom-Economic Cascade Reactions". supporting information. p. 1808 - 1812. Retrieved 2018/02/10.