Benzene, 1,2-dimethyl-4-(1-phenylethyl)-

Base Information

Chemical Name:Benzene, 1,2-dimethyl-4-(1-phenylethyl)-
CAS No.:6196-95-8
Deprecated CAS:76090-67-0
Molecular Formula:C16H18
Molecular Weight:210.319
Hs Code.:
European Community (EC) Number:228-249-2
UNII:I150P0702M
DSSTox Substance ID:DTXSID8027616
Nikkaji Number:J3.085F
Wikidata:Q27280233
Mol file:6196-95-8.mol

Synonyms:PDEPE;phenyl-1-(3,4-dimethyl)phenylethane

Suppliers and Price of Benzene, 1,2-dimethyl-4-(1-phenylethyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1,2-DIMETHYL-4-(1-PHENYL-ETHYL)-BENZENE 95.00%
5MG
$ 501.94

Total 38 raw suppliers

Chemical Property of Benzene, 1,2-dimethyl-4-(1-phenylethyl)-

Chemical Property:

Vapor Pressure:0.0014mmHg at 25°C
Melting Point:-56 °C
Refractive Index:1.551
Boiling Point:306.4 °C at 760 mmHg
Flash Point:143 °C
PSA：0.00000
Density:0.961 g/cm³
LogP:4.45520
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:210.140850574
Heavy Atom Count:16
Complexity:202

Purity/Quality:

99%, ^*data from raw suppliers

1,2-DIMETHYL-4-(1-PHENYL-ETHYL)-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Aromatic Hydrocarbons
Canonical SMILES:CC1=C(C=C(C=C1)C(C)C2=CC=CC=C2)C
General Description 1,2-DIMETHYL-4-(1-PHENYL-ETHYL)-BENZENE (also known as 1-phenyl-1-(3,4-dimethylphenyl)ethane or PXE) is synthesized via the alkylation of o-xylene with styrene, catalyzed by various acidic systems, including ionic liquids (e.g., AlCl₃ in [BMIM][Br]), polymerized ionic liquids, and mesoporous solid acids. These catalysts enable high conversion rates (up to 100%) and yields (exceeding 90%), with low activation energy (28.24 kcal/mol) facilitating the reaction. 1,2-DIMETHYL-4-(1-PHENYL-ETHYL)-BENZENE's synthesis benefits from optimized conditions (e.g., catalyst concentration, temperature, and time) and reusable catalysts, such as cross-linked poly acidic ionic liquids or phosphotungstic acid-functionalized LaSBA-15, which offer high surface area, thermal stability, and recyclability. The reaction mechanism involves Al³⁺ coordination or Br?nsted acid sites, confirmed by spectroscopic and computational studies. This efficient, green approach highlights PXE's industrial potential in acid-catalyzed processes.

Technology Process of Benzene, 1,2-dimethyl-4-(1-phenylethyl)-

There total 21 articles about Benzene, 1,2-dimethyl-4-(1-phenylethyl)- 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: 100.0%

: 95-47-6
o-xylene

: 93-96-9
bis(1-phenylethyl)ether

: 6196-95-8
1,2-dimethyl-4-(1-phenylethyl)benzene

Guidance literature:: With iron(III) chloride; chloro-trimethyl-silane; In 1,2-dichloro-ethane; at 20 ℃; for 0.166667h; Inert atmosphere;
DOI:10.1002/chem.201302862

Reference yield: 99.67%

: 100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6
styrene

: 95-47-6
o-xylene

: 6196-95-8
1,2-dimethyl-4-(1-phenylethyl)benzene

Guidance literature:: With cross-linked poly acidic ionic liquids; In N,N-dimethyl-formamide; at 120 ℃; for 3h; Solvent; Temperature; High pressure;
DOI:10.1016/j.apcata.2017.12.027

Reference yield: 93.9%

: 100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6
styrene

: 95-47-6
o-xylene

: 81749-28-2
1,2-dimethyl-2-(1-phenylethyl)benzene

: 6196-95-8
1,2-dimethyl-4-(1-phenylethyl)benzene

Guidance literature:: With immobilized 30percent 12-tungstophosphoric acid-imidazole(1H)-3-ium-3-triethoxysilylpropyl-1-(propyl-3-sulfonate) on mesoporous silica SBA-15; at 120 ℃; for 3h; Reagent/catalyst;
DOI:10.1039/c4ra03531c