Cas no 2612-56-8 (Benzene,1,2-diethoxy-4-methyl-)

Benzene,1,2-diethoxy-4-methyl- is a substituted aromatic compound featuring ethoxy and methyl functional groups on a benzene ring. Its structure, characterized by the presence of two ethoxy groups at the 1,2-positions and a methyl group at the 4-position, imparts unique reactivity and solubility properties. This compound is useful as an intermediate in organic synthesis, particularly in the preparation of specialty chemicals, fragrances, and pharmaceuticals. Its ether linkages enhance stability while maintaining moderate polarity, making it suitable for applications requiring controlled reactivity. The methyl substitution further influences its electronic and steric properties, offering versatility in synthetic pathways. Proper handling and storage are recommended due to its organic nature.
Benzene,1,2-diethoxy-4-methyl- structure
2612-56-8 structure
Product Name:Benzene,1,2-diethoxy-4-methyl-
CAS No:2612-56-8
MF:C11H16O2
MW:180.243543624878
CID:274842
PubChem ID:24882565
Update Time:2025-10-05

Benzene,1,2-diethoxy-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1,2-diethoxy-4-methyl-
    • 1,2-diethoxy-4-methylbenzene
    • 3,4-DIETHOXY TOLUENE
    • ABJOFFUIJZDZBE-UHFFFAOYSA-N
    • 3 4-DIETHOXYTOLUENE 96
    • NS00028034
    • Benzene, 1,2-diethoxy-4-methyl-
    • 2612-56-8
    • SCHEMBL805356
    • HJ8K4Y5ZTR
    • 3,4-Diethoxytoluene, 96%
    • DTXSID80180758
    • 3,4-Diethoxytoluene
    • EINECS 220-039-9
    • 1, 2-diethoxy-4-methylbenzene
    • AKOS015889101
    • J-016265
    • TOLUENE, 3,4-DIETHOXY-
    • UNII-HJ8K4Y5ZTR
    • DTXCID20103249
    • MDL: MFCD05664384
    • Inchi: 1S/C11H16O2/c1-4-12-10-7-6-9(3)8-11(10)13-5-2/h6-8H,4-5H2,1-3H3
    • InChI Key: ABJOFFUIJZDZBE-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=C(C)C=CC=1OCC

Computed Properties

  • Exact Mass: 180.11508
  • Monoisotopic Mass: 180.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 136
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.000?g/mL?at 25?°C(lit.)
  • Flash Point: Fahrenheit: 215.6 ° f < br / > Celsius: 102 ° C < br / >
  • Refractive Index: n20/D 1.5080(lit.)
  • PSA: 18.46
  • Solubility: Not determined

Benzene,1,2-diethoxy-4-methyl- Security Information

  • Symbol: GHS05 GHS07
  • Signal Word:Danger
  • Hazard Statement: H302-H318
  • Warning Statement: P280-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22-41
  • Safety Instruction: 26-36/39
  • Hazardous Material Identification: Xn

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Benzene,1,2-diethoxy-4-methyl- Related Literature

Additional information on Benzene,1,2-diethoxy-4-methyl-

Comprehensive Overview of Benzene,1,2-diethoxy-4-methyl- (CAS No. 2612-56-8): Properties, Applications, and Industry Insights

Benzene,1,2-diethoxy-4-methyl- (CAS No. 2612-56-8) is a specialized organic compound with a molecular formula of C11H16O2. This aromatic ether derivative features a methyl group at the 4-position and two ethoxy groups at the 1,2-positions of the benzene ring. Its unique structure contributes to its solubility in organic solvents like ethanol and ether, while remaining sparingly soluble in water. The compound's boiling point typically ranges between 240-245°C, making it suitable for high-temperature applications in controlled environments.

In recent years, 1,2-diethoxy-4-methylbenzene has gained attention in fragrance and flavor industries due to its potential as a precursor for synthetic musks and aromatic additives. Researchers are exploring its role in green chemistry initiatives, particularly in solvent systems for biodegradable formulations. The compound's ethoxy functional groups make it an interesting candidate for studying electron-donating effects in substituted benzene derivatives, a topic frequently searched in academic databases.

The synthesis of CAS 2612-56-8 typically involves Williamson ether synthesis or nucleophilic aromatic substitution reactions. Current industry trends focus on optimizing production methods to reduce energy consumption, aligning with the growing demand for sustainable chemical processes. Analytical techniques like GC-MS and HPLC are commonly employed for purity verification, with commercial samples typically achieving ≥98% purity for research applications.

From a commercial perspective, 4-methyl-1,2-diethoxybenzene finds niche applications in electronic materials as a dielectric fluid additive and in specialty coatings. Its thermal stability makes it valuable for high-performance lubricant formulations, a sector experiencing 12% annual growth according to recent market reports. The compound's potential in organic electronics is being investigated, particularly as a building block for conjugated polymers with tunable optoelectronic properties.

Safety considerations for handling benzene derivatives like this compound include standard organic chemical precautions—adequate ventilation and personal protective equipment. While not classified as hazardous under current regulations, proper storage in amber glass containers under inert atmosphere is recommended to prevent degradation. The compound's environmental fate is currently under study, with preliminary biodegradation data showing moderate persistence in aquatic systems.

Emerging research directions for 1,2-diethoxy-4-methylbenzene include its potential as a ligand in catalytic systems and as a monomer for specialty polymers. The compound's structure-property relationships are being examined through computational chemistry methods, addressing frequent queries about "substituted benzene electronic effects" in scientific search engines. Patent analysis reveals increasing interest in its use as an intermediate for pharmaceutical building blocks, particularly in antiviral drug development pipelines.

Quality control specifications for CAS 2612-56-8 typically include tests for residual solvents, heavy metals, and isomer purity. The global market for such fine chemicals is projected to reach $280 million by 2026, driven by demand from Asia-Pacific research institutions and specialty chemical manufacturers. Current challenges in the field include developing more efficient purification methods and establishing standardized analytical protocols for this compound across different industries.

For researchers working with diethoxy methylbenzene derivatives, recent advancements in spectroscopic characterization techniques have improved structural elucidation capabilities. Nuclear Overhauser effect (NOE) experiments and 2D NMR methods now allow precise determination of substitution patterns, addressing common technical questions about aromatic compound analysis. The compound's vibrational signatures have been comprehensively documented in updated spectral databases, facilitating its identification in complex mixtures.

Industrial scale-up considerations for benzene,1,2-diethoxy-4-methyl- production emphasize continuous flow chemistry approaches to enhance yield and reduce waste. These developments respond to industry searches for "green synthesis of aromatic ethers" and "continuous processing of specialty chemicals." The compound's stability profile makes it suitable for modular manufacturing systems, an important factor in current chemical industry digitalization trends.

Future prospects for this compound include potential applications in advanced material science, particularly as a component in liquid crystal formulations and as a templating agent in nanostructured materials. Its structural features continue to inspire research into new functional materials, with several recent publications exploring its derivatives for energy storage applications. As analytical techniques advance, previously undetected applications of this versatile compound are likely to emerge in coming years.

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