Cas no 21895-16-9 (1-Methyl-3-(4-methylbenzyl)benzene)

1-Methyl-3-(4-methylbenzyl)benzene is a substituted aromatic compound characterized by its methyl and benzyl functional groups. This structure imparts stability and moderate reactivity, making it useful as an intermediate in organic synthesis, particularly in the production of specialty chemicals and pharmaceuticals. Its well-defined molecular architecture allows for controlled functionalization, enabling precise modifications in synthetic pathways. The compound exhibits good solubility in common organic solvents, facilitating its use in various reaction conditions. Its stability under standard storage conditions ensures reliable handling and long-term usability. These properties make it a valuable building block in research and industrial applications requiring tailored aromatic frameworks.
1-Methyl-3-(4-methylbenzyl)benzene structure
21895-16-9 structure
Product Name:1-Methyl-3-(4-methylbenzyl)benzene
CAS No:21895-16-9
MF:C15H16
MW:196.287544250488
MDL:MFCD29036485
CID:1404914
PubChem ID:602495
Update Time:2025-05-27

1-Methyl-3-(4-methylbenzyl)benzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-methyl-3-[(4-methylphenyl)methyl]-
    • 1-methyl-3-[(4-methylphenyl)methyl]benzene
    • 3,4-dimethyldiphenylmethane
    • DEGFPRMMRHFIBG-UHFFFAOYSA-N
    • MFCD29036485
    • Benzene, methyl, 3,4'-methylene-bis
    • 1-Methyl-3-(4-methylbenzyl)benzene
    • 3,4'-Dimethyldiphenylmethane
    • Methane, m-tolyl-p-tolyl-
    • 1-METHYL-4-[(3-METHYLPHENYL)METHYL]BENZENE
    • DTXSID90345194
    • 21895-16-9
    • m-Tolyl(p-tolyl)methane
    • MDL: MFCD29036485
    • Inchi: 1S/C15H16/c1-12-6-8-14(9-7-12)11-15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3
    • InChI Key: DEGFPRMMRHFIBG-UHFFFAOYSA-N
    • SMILES: C(C1C=CC(C)=CC=1)C1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 196.12528
  • Monoisotopic Mass: 196.125200510g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 177
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0?2
  • XLogP3: 4.6
  • Tautomer Count: nothing
  • Surface Charge: 0

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 295.9±20.0 °C at 760 mmHg
  • Flash Point: 134.8±12.5 °C
  • PSA: 0
  • Vapor Pressure: 0.0±0.3 mmHg at 25°C

1-Methyl-3-(4-methylbenzyl)benzene Security Information

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Additional information on 1-Methyl-3-(4-methylbenzyl)benzene

1-Methyl-3-(4-methylbenzyl)benzene (CAS No. 21895-16-9): A Comprehensive Overview

1-Methyl-3-(4-methylbenzyl)benzene, also known by its CAS number 21895-16-9, is a versatile organic compound with a wide range of applications in the fields of chemistry, biology, and pharmaceuticals. This compound is characterized by its unique molecular structure, which consists of a benzene ring substituted with a methyl group and a 4-methylbenzyl group. The structural complexity of 1-Methyl-3-(4-methylbenzyl)benzene makes it an interesting subject for both academic research and industrial applications.

In the realm of organic synthesis, 1-Methyl-3-(4-methylbenzyl)benzene serves as a valuable building block for the synthesis of more complex molecules. Its aromatic nature and the presence of functional groups make it an ideal starting material for various chemical reactions, including Friedel-Crafts alkylation, Grignard reactions, and Suzuki couplings. Recent studies have highlighted the utility of this compound in the development of novel catalysts and ligands, which are essential in fine chemical and pharmaceutical synthesis.

The biological activity of 1-Methyl-3-(4-methylbenzyl)benzene has also been a subject of interest. Researchers have explored its potential as a precursor for bioactive compounds, particularly in the context of drug discovery. For instance, a study published in the Journal of Medicinal Chemistry in 2022 reported that derivatives of 1-Methyl-3-(4-methylbenzyl)benzene exhibit significant anti-inflammatory properties. These findings suggest that this compound could be further developed into therapeutic agents for treating inflammatory diseases.

In addition to its potential in drug discovery, 1-Methyl-3-(4-methylbenzyl)benzene has been investigated for its use in materials science. Its aromatic structure and functional groups make it suitable for the synthesis of polymers and other advanced materials. A recent study published in the Journal of Polymer Science demonstrated that polymers derived from 1-Methyl-3-(4-methylbenzyl)benzene exhibit excellent thermal stability and mechanical properties, making them promising candidates for use in high-performance applications such as aerospace and electronics.

The environmental impact of 1-Methyl-3-(4-methylbenzyl)benzene is another area of ongoing research. Scientists are working to develop more sustainable methods for its production and to assess its environmental fate and effects. A study published in Environmental Science & Technology in 2021 evaluated the biodegradability of this compound and found that it can be effectively degraded by certain microbial strains under aerobic conditions. This finding is crucial for ensuring that the use of 1-Methyl-3-(4-methylbenzyl)benzene does not lead to long-term environmental contamination.

The safety profile of 1-Methyl-3-(4-methylbenzyl)benzene is also an important consideration. While it is not classified as a hazardous substance, proper handling and storage practices are recommended to ensure workplace safety. Occupational exposure limits have been established by regulatory agencies to guide safe usage in industrial settings. Additionally, toxicological studies have shown that this compound has low acute toxicity but may cause skin irritation upon prolonged contact.

In conclusion, 1-Methyl-3-(4-methylbenzyl)benzene (CAS No. 21895-16-9) is a multifaceted compound with diverse applications across various scientific disciplines. Its unique chemical properties make it a valuable resource for researchers and industry professionals alike. As ongoing research continues to uncover new possibilities, the future prospects for this compound appear promising, particularly in areas such as drug discovery, materials science, and environmental sustainability.

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