1,2-Dimethyl-4-(1-phenylethyl)benzene

Basic Information

View in Editor

CAS Number

6196-95-8

Molecular Formula

C16H18

Molecular Weight

210.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

SMILES

View in Editor

Cc1ccc(cc1C)C(C)c2ccccc2

InChI

InChI=1S/C16H18/c1-12-9-10-16(11-13(12)2)14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3

InChIKey

FLWSNJAEMMOZJG-UHFFFAOYSA-N

LogP

4.455240000000003

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Synonyms & References

English

Benzene,1,2-dimethyl-4-(1-phenylethyl)-
1,2-DIMETHYL-4-(1-PHENYL-ETHYL)-BENZENE
PXE
1-(1-Phenylethyl)-3,4-dimethylbenzene
1-(3,4-dimethylphenyl)-1-phenylethane
1,2-dimethyl-4-(1-phenylethyl)-benzene
1-phenyl-1-(3,4-dimethylphenyl)ethane
1-Phenyl-1-(3,4-xylyl)-ethane
1-phenyl-1-(o-xylyl)ethane
1-PHENYL-1-XYLYLETHANE
4-(1-phenylethyl)-o-xylene
phenyl-1-(3,4-dimethyl)phenylethane
Phenyl-o-xylylethane (POXE)
Phenylxylylethane: (PXE)

FAQ

What are the physical and chemical properties of 1,2-Dimethyl-4-(1-phenylethyl)benzene (CAS: 6196-95-8)?

1,2-Dimethyl-4-(1-phenylethyl)benzene (CAS: 6196-95-8) is a crystalline solid with a molecular weight of approximately 206.26 g/mol. It has a low water solubility (0.02 g/L at 25°C) and is slightly soluble in organic solvents like ethanol and acetone. It shows moderate reactivity towards electrophilic aromatic substitution reactions and has a boiling point of 225-227°C (1013 hPa).

How is 1,2-Dimethyl-4-(1-phenylethyl)benzene (CAS: 6196-95-8) typically synthesized?

1,2-Dimethyl-4-(1-phenylethyl)benzene (CAS: 6196-95-8) is typically synthesized via the Friedel-Crafts alkylation of toluene with 1-phenylethyl bromide in the presence of aluminum chloride as a catalyst. The reaction provides a good yield (70-80%) and exhibits high regioselectivity.

What industries use 1,2-Dimethyl-4-(1-phenylethyl)benzene (CAS: 6196-95-8)?

1,2-Dimethyl-4-(1-phenylethyl)benzene (CAS: 6196-95-8) is used in the pharmaceutical industry for the synthesis of certain drugs, and it has applications in the polymer industry for the production of specific types of plastics and elastomers. It can also be utilized in the sensor industry for gas detection and in the semiconductor industry for photolithography processes.

What precautions should be taken when handling 1,2-Dimethyl-4-(1-phenylethyl)benzene (CAS: 6196-95-8)?

When handling 1,2-Dimethyl-4-(1-phenylethyl)benzene (CAS: 6196-95-8), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Dispose of any waste according to local regulations and ensure that the material is stored in a cool, dry place away from direct sunlight. Always refer to the Safety Data Sheet (SDS) for specific handling and storage instructions.