Pentamethylbenzene

Base Information

• Chemical Name: Pentamethylbenzene
• CAS No.: 700-12-9
• Molecular Formula: C11H16
• Molecular Weight: 148.248
• Hs Code.: 2942000000
• European Community (EC) Number: 211-837-8
• NSC Number: 1889
• UNII: H6JLD3AI98
• DSSTox Substance ID: DTXSID6061024
• Nikkaji Number: J6.940J
• Wikipedia: Pentamethylbenzene
• Wikidata: Q424944
• Metabolomics Workbench ID: 56112
• Mol file: 700-12-9.mol

Synonyms:pentamethylbenzene;pentamethylenebenzene

Chemical Property of Pentamethylbenzene

Chemical Property:

• Appearance/Colour: white to light yellow crystalline powder
• Vapor Pressure: 0.107mmHg at 25°C
• Melting Point: 49-51 °C(lit.)
• Refractive Index: 1.501
• Boiling Point: 229 °C at 760 mmHg
• Flash Point: 91.1 °C
• PSA: 0.00000
• Density: 0.867 g/cm³
• LogP: 3.22860
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 148.125200510
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F, Xi
• Hazard Codes: F:Flammable;;
• Statements: R11:; R36/37/38:
• Safety Statements: S16:; S26:; S36:

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)C

Technology Process of Pentamethylbenzene

There total 127 articles about Pentamethylbenzene 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: 98.0%

2',3',4',5',6'-pentamethylacetophenone (2040-01-9) + methoxybenzene (100-66-3) → 2-Methoxyacetophenone (579-74-8) + pentamethylbenzene, (700-12-9) + 1-(4-methoxyphenyl)ethanone (100-06-1)

Guidance literature:

trifluoroacetic acid; for 20h; Heating;

DOI:10.1039/P29860000847

Reference yield: 74.0%

methanol (67-56-1) + acetone (67-64-1) → pentamethylbenzene, (700-12-9) + Hexamethylbenzene (87-85-4) + 1,3,5-trimethyl-benzene (108-67-8)

Guidance literature:

With aluminum oxide; at 420 ℃; flowrate: 33 ml/ h;

Reference yield: 30.0%

methanol (67-56-1) + butanone (78-93-3) → pentamethylbenzene, (700-12-9) + Hexamethylbenzene (87-85-4)

Guidance literature:

With aluminum oxide; at 420 ℃; Further byproducts given; flowrate: 20 ml/ h;

upstream raw materials:

methylene chloride

1,2,4-Trimethylbenzene

1,2,3,5-Tetramethylbenzene

Dimethyl ether

Downstream raw materials:

pentamethyl-trichloromethyl-benzene

pentamethylbenzoic acid

2,2',3,3',4,4',5,5',6,6'-decamethyldiphenylmethane

Hexamethylbenzene

Refernces

• 1、 Gould, Ian R.,Young, Ralph H.,Moody, Roger E.,Farid, Samir. "Contact and Solvent-Separated Geminate Radical Ion Pairs in Electron-Transfer Photochemistry". . p. 2068 - 2080. Retrieved 1991.
• 2、 Wang, Chao,Xu, Jun,Qi, Guodong,Gong, Yanjun,Wang, Weiyu,Gao, Pan,Wang, Qiang,Feng, Ningdong,Liu, Xiaolong,Deng, Feng. "Methylbenzene hydrocarbon pool in methanol-to-olefins conversion over zeolite H-ZSM-5". . p. 127 - 137. Retrieved 2015/11/09.
• 3、 -. "Block copolymers for stable micelles". Page/Page column. . Retrieved 2013/11/19.