Cas no 21895-13-6 (1-Methyl-2-(3-methylbenzyl)benzene)

1-Methyl-2-(3-methylbenzyl)benzene is a substituted aromatic compound featuring a benzyl group attached to a methyl-substituted benzene ring. 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 framework allows for predictable reactivity in electrophilic aromatic substitution and other transformations. The compound's purity and consistent composition ensure reliable performance in synthetic applications. It is typically handled under standard laboratory conditions, with appropriate precautions for aromatic hydrocarbons. The presence of two methyl groups influences its solubility and boiling point, offering tunable properties for specific reaction conditions.
1-Methyl-2-(3-methylbenzyl)benzene structure
21895-13-6 structure
Product Name:1-Methyl-2-(3-methylbenzyl)benzene
CAS No:21895-13-6
MF:C15H16
MW:196.287544250488
MDL:MFCD28047712
CID:250306
PubChem ID:607291
Update Time:2025-10-23

1-Methyl-2-(3-methylbenzyl)benzene Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-methyl-2-[(3-methylphenyl)methyl]-
    • 1-methyl-2-[(3-methylphenyl)methyl]benzene
    • 2,3'-Dimethyldiphenylmethane
    • Methane, m-tolyl-o-tolyl-
    • o-Tolyl(m-tolyl)methane
    • 1-Methyl-2-(3-methylbenzyl)benzene
    • 1-Methyl-2-(3-methylbenzyl)benzene #
    • 1-METHYL-3-[(2-METHYLPHENYL)METHYL]BENZENE
    • Benzene, 1-methyl-2-[(3-methylphenyl)methyl]-
    • WUCBDTNUSSWFNZ-UHFFFAOYSA-N
    • 21895-13-6
    • BENZENE,1-METHYL-2-[(3-METHYL)
    • DTXSID70345819
    • 1-methyl-2-[(3-methylphenyl)methyl]-benzene
    • 2-(3-METHYLBENZYL)TOLUENE
    • MFCD28047712
    • MDL: MFCD28047712
    • Inchi: 1S/C15H16/c1-12-6-5-8-14(10-12)11-15-9-4-3-7-13(15)2/h3-10H,11H2,1-2H3
    • InChI Key: WUCBDTNUSSWFNZ-UHFFFAOYSA-N
    • SMILES: C(C1C=CC=C(C)C=1)C1C=CC=CC=1C

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: 185
  • 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
  • XLogP3: 4.6
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.9811 (estimate)
  • Melting Point: 0.95°C (estimate)
  • Boiling Point: 288.19°C (estimate)
  • Flash Point: 136.5±12.5 °C
  • Refractive Index: 1.5472 (estimate)
  • PSA: 0
  • Vapor Pressure: 0.0±0.3 mmHg at 25°C

1-Methyl-2-(3-methylbenzyl)benzene Security Information

1-Methyl-2-(3-methylbenzyl)benzene Pricemore >>

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Additional information on 1-Methyl-2-(3-methylbenzyl)benzene

Comprehensive Guide to 1-Methyl-2-(3-methylbenzyl)benzene (CAS No. 21895-13-6): Properties, Applications, and Industry Insights

1-Methyl-2-(3-methylbenzyl)benzene (CAS No. 21895-13-6) is a specialized aromatic compound gaining attention in industrial and research applications due to its unique chemical structure. This methyl-substituted benzene derivative features a 1-methyl-2-(3-methylbenzyl) configuration, which contributes to its stability and reactivity in synthetic processes. As demand grows for high-performance intermediates, this compound has emerged as a valuable building block in fine chemical synthesis and material science.

The compound's molecular structure (C15H16) combines two aromatic rings with methyl substitutions, offering balanced lipophilicity and moderate polarity. Researchers highlight its role in developing advanced polymer additives and liquid crystal materials, particularly where thermal stability (typically stable up to 200°C) and controlled reactivity are required. Recent studies in green chemistry applications explore its potential as a bio-based solvent alternative, aligning with the industry's shift toward sustainable solutions.

In pharmaceutical research, 21895-13-6 serves as a precursor for specialty intermediates, though its direct medicinal applications remain limited. The compound's low acute toxicity profile (as per standard laboratory testing) makes it suitable for controlled industrial use. Manufacturers emphasize its compatibility with catalytic hydrogenation processes, where it demonstrates consistent yields in pilot-scale production.

Market analysis reveals growing interest in custom synthesis services for this compound, particularly from electronic materials and coatings industries. Technical specifications typically include ≥98% purity with HPLC verification, meeting most industrial requirements. Storage recommendations suggest inert atmosphere protection to maintain stability during long-term preservation.

Environmental considerations for 1-Methyl-2-(3-methylbenzyl)benzene focus on its biodegradation potential and waste treatment protocols. While not classified as persistent, proper chemical handling procedures are recommended to minimize ecological impact. Regulatory status varies by region, with most jurisdictions requiring standard chemical safety documentation for commercial distribution.

Emerging applications include its use in organic semiconductor research and as a reference standard in analytical chemistry. The compound's distinct spectroscopic signature (particularly in NMR and mass spectrometry) makes it valuable for method development. Quality control protocols typically assess residual solvents and isomer content to ensure batch consistency.

From a commercial perspective, 21895-13-6 remains a low-volume specialty chemical, with pricing reflecting its niche status. Suppliers increasingly offer small-scale packaging options to accommodate research needs. The compound's synthetic versatility continues to attract interest from academic and industrial researchers exploring novel aromatic systems.

Future developments may explore catalytic modification techniques to enhance the compound's functionality. Current research examines its potential in energy storage materials and advanced lubricant formulations. As analytical techniques advance, new quality benchmarks are being established for this high-purity aromatic compound.

For laboratories handling 1-Methyl-2-(3-methylbenzyl)benzene, standard organic chemical precautions apply, including adequate ventilation and personal protective equipment. The compound's physical properties (typically liquid at room temperature with characteristic aromatic odor) require appropriate containment measures. Technical datasheets provide detailed handling guidance specific to this methylated biphenyl derivative.

The global market for such specialty aromatic compounds shows steady growth, driven by demand from advanced material sectors. While 21895-13-6 represents a specialized product, its structural features make it noteworthy among substituted diphenylmethane derivatives. Continued research will likely reveal additional applications for this versatile chemical building block.

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