Cas no 667412-91-1 (4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde)

4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde is a synthetic aromatic aldehyde characterized by its methoxy and methylbenzyloxy substituents on the benzene ring. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its structural features, including the electron-donating methoxy group and the sterically influenced methylbenzyloxy moiety, make it a versatile building block for constructing complex molecules. The compound exhibits moderate stability under standard conditions and can undergo further functionalization, such as oxidation or condensation reactions. Its purity and consistent performance are critical for reproducible results in research and industrial applications. Proper handling and storage are recommended to maintain its integrity.
4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde structure
667412-91-1 structure
Product Name:4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde
CAS No:667412-91-1
MF:C16H16O3
MW:256.296444892883
MDL:MFCD03422463
CID:1069154
PubChem ID:3859462
Update Time:2025-05-24

4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Methoxy-3-((3-methylbenzyl)oxy)benzaldehyde
    • 4-Methoxy-3-[(3-methylbenzyl)oxy]benzaldehyde
    • 4-methoxy-3-[(3-methylphenyl)methoxy]benzaldehyde
    • VS-06053
    • 667412-91-1
    • AKOS000202028
    • MFCD03422463
    • DTXSID40397466
    • 4-Methoxy-3-[(3-methylbenzyl)oxy]benzaldehyde, AldrichCPR
    • CS-0317393
    • BBL017320
    • ALBB-001306
    • STK443196
    • 4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde
    • MDL: MFCD03422463
    • Inchi: 1S/C16H16O3/c1-12-4-3-5-14(8-12)11-19-16-9-13(10-17)6-7-15(16)18-2/h3-10H,11H2,1-2H3
    • InChI Key: ZZMWKNVFFAVZJQ-UHFFFAOYSA-N
    • SMILES: O(C1C=C(C=O)C=CC=1OC)CC1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 256.11000
  • Monoisotopic Mass: 256.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 279
  • 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: 3.2
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 406.6±35.0 °C at 760 mmHg
  • Flash Point: 191.3±12.4 °C
  • PSA: 35.53000
  • LogP: 3.39510
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde Security Information

4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde Customs Data

  • HS CODE:2912499000
  • Customs Data:

    China Customs Code:

    2912499000

    Overview:

    2912499000. Other aldehyde ethers\Aldehydes, phenols and aldehydes containing other oxygen-containing groups. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Appearance of tetraformaldehyde

    Summary:

    2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

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4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde Related Literature

Additional information on 4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde

Comprehensive Overview of 4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde (CAS No. 667412-91-1)

4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde (CAS No. 667412-91-1) is a specialized organic compound widely utilized in pharmaceutical intermediates, fragrance synthesis, and advanced material research. Its unique molecular structure, featuring a methoxy group and a 3-methylbenzyl ether moiety, makes it a versatile building block for synthesizing complex molecules. This compound has garnered significant attention due to its potential applications in drug discovery, particularly in targeting oxidative stress-related pathways and anti-inflammatory agents, aligning with current trends in precision medicine.

In recent years, the demand for high-purity benzaldehyde derivatives like 4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde has surged, driven by advancements in green chemistry and sustainable synthesis methods. Researchers are exploring its role in biodegradable polymers and photoactive materials, addressing global concerns about environmental sustainability. The compound’s low toxicity profile and structural adaptability further enhance its appeal for industrial and academic applications.

From a technical perspective, CAS No. 667412-91-1 exhibits notable stability under standard conditions, with a melting point range of 85–88°C and solubility in common organic solvents such as ethanol, acetone, and dichloromethane. These properties facilitate its integration into multi-step synthetic routes, including Pd-catalyzed cross-coupling reactions and reductive amination. Analytical techniques like HPLC and NMR spectroscopy are typically employed to verify its purity, ensuring compliance with stringent regulatory standards for pharmaceutical use.

The compound’s nomenclature—4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde—reflects its IUPAC naming conventions, emphasizing the methoxy substitution at the 4-position and the benzyl ether linkage at the 3-position of the benzaldehyde core. This specificity is critical for patent filings and literature searches, where precise terminology ensures accurate retrieval of scientific data. Synonyms such as 3-(3-Methylbenzyloxy)-4-methoxybenzaldehyde may also appear in databases, underscoring the importance of standardized chemical identifiers like CAS numbers.

Emerging applications of 4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde include its use in flavor and fragrance formulations, where its aromatic profile contributes to woody and spicy notes. Additionally, its potential as a UV absorber in cosmetic formulations has been investigated, coinciding with rising consumer interest in sunscreen actives and photoprotection. These trends are reflected in search engine queries, with terms like "benzaldehyde derivatives in cosmetics" and "sustainable synthesis of aromatic aldehydes" gaining traction.

For researchers sourcing this compound, key considerations include supplier reliability, batch-to-batch consistency, and documentation (e.g., COA, MSDS). Reputable suppliers often provide custom synthesis services to meet specific project requirements, such as isotopic labeling or scaled-up production. The compound’s storage stability—recommended at 2–8°C in airtight containers—further ensures long-term usability for experimental workflows.

In summary, 4-Methoxy-3-(3-methylbenzyl)oxybenzaldehyde (CAS No. 667412-91-1) represents a critical intermediate at the intersection of pharmaceutical innovation, material science, and green chemistry. Its multifaceted applications and alignment with contemporary research priorities underscore its value in both industrial and academic settings. Future studies may explore its derivatives for bioactive molecule design or nanomaterial functionalization, further expanding its utility.

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