Cas no 62443-10-1 (Methyl 4-(decyloxy)benzoate)

Methyl 4-(decyloxy)benzoate is a liquid crystalline compound belonging to the family of alkyloxybenzoate esters. It exhibits mesomorphic properties, making it useful in the study and development of liquid crystal materials. The compound features a decyloxy chain attached to a benzoate ester core, contributing to its thermal stability and phase behavior. Its well-defined molecular structure allows for precise tuning of mesophase transitions, which is advantageous in applications requiring controlled alignment and optical properties. Methyl 4-(decyloxy)benzoate is commonly employed in research settings for investigating smectic and nematic phases, as well as in the formulation of advanced display technologies and electro-optical devices.
Methyl 4-(decyloxy)benzoate structure
Methyl 4-(decyloxy)benzoate structure
Product Name:Methyl 4-(decyloxy)benzoate
CAS No:62443-10-1
MF:C18H28O3
MW:292.413125991821
MDL:MFCD00026537
CID:956658
PubChem ID:3574987
Update Time:2025-06-10

Methyl 4-(decyloxy)benzoate Chemical and Physical Properties

Names and Identifiers

    • methyl 4-n-decyloxybenzoate
    • methyl 4-decoxybenzoate
    • methyl 4-(dec-1-yl)oxybenzoate
    • METHYL 4-DECYLOXYBENZOATE
    • methyl p-decyloxybenzoate
    • methyl p-n-decyloxybenzoate
    • p-decyloxybenzoic acid methyl ester
    • RARECHEM AL BF 0266
    • STK523946
    • MFCD00026537
    • 62443-10-1
    • SCHEMBL302596
    • LS-07549
    • methyl4-(decyloxy)benzoate
    • AKOS001720872
    • methyl 4-(decyloxy)benzoate
    • CHEMBL3273776
    • DTXSID20393789
    • Methyl 4-(decyloxy)benzoate
    • MDL: MFCD00026537
    • Inchi: 1S/C18H28O3/c1-3-4-5-6-7-8-9-10-15-21-17-13-11-16(12-14-17)18(19)20-2/h11-14H,3-10,15H2,1-2H3
    • InChI Key: PVYKKUGCNXURBV-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C(=O)OC)=CC=1)CCCCCCCCCC

Computed Properties

  • Exact Mass: 292.20400
  • Monoisotopic Mass: 292.20384475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 12
  • Complexity: 257
  • 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: 6.4
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53000
  • LogP: 4.99270

Methyl 4-(decyloxy)benzoate Customs Data

  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Methyl 4-(decyloxy)benzoate Pricemore >>

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Additional information on Methyl 4-(decyloxy)benzoate

Methyl 4-(decyloxy)benzoate (CAS No. 62443-10-1): A Comprehensive Overview

Methyl 4-(decyloxy)benzoate, identified by the chemical compound code CAS No. 62443-10-1, is a specialized organic ester that has garnered significant attention in the field of pharmaceuticals and materials science. This compound, characterized by its long aliphatic chain and aromatic ring structure, exhibits unique properties that make it valuable in various applications, particularly in drug formulation and polymer chemistry.

The molecular structure of Methyl 4-(decyloxy)benzoate consists of a benzoate moiety linked to a decyl ether group. This configuration imparts a balance of lipophilicity and solubility, making it an attractive candidate for use in pharmaceutical formulations where bioavailability and tissue penetration are critical factors. The presence of the decyl group enhances the compound's solubility in organic solvents, which is particularly useful in the synthesis of complex molecules and in the development of controlled-release formulations.

Recent research has highlighted the potential applications of Methyl 4-(decyloxy)benzoate in the development of novel drug delivery systems. Its ability to form stable complexes with hydrophobic drugs has been explored as a means to improve their solubility and pharmacokinetic profiles. For instance, studies have demonstrated its efficacy in enhancing the bioavailability of poorly soluble compounds by facilitating their dissolution and subsequent absorption. This makes it a promising candidate for formulations targeting chronic diseases where sustained drug release is essential.

In addition to its pharmaceutical applications, Methyl 4-(decyloxy)benzoate has found utility in materials science, particularly in the synthesis of functional polymers. The compound's aromatic structure and aliphatic chain contribute to its ability to act as a monomer or modifier in polymer matrices, imparting specific thermal and mechanical properties. Researchers have investigated its incorporation into biodegradable polymers, which are increasingly used in medical implants and tissue engineering scaffolds. The stability and biocompatibility of these polymers are enhanced by the presence of Methyl 4-(decyloxy)benzoate, making it a valuable component in advanced material design.

The chemical properties of Methyl 4-(decyloxy)benzoate also make it suitable for use as an intermediate in organic synthesis. Its reactivity allows for further functionalization, enabling the creation of more complex derivatives with tailored properties. This versatility has been exploited in the synthesis of specialty chemicals used in fragrances, dyes, and coatings. The compound's ability to undergo selective reactions while maintaining its core structure makes it a preferred choice for chemists seeking to develop novel molecules with specific functionalities.

From an industrial perspective, the production of Methyl 4-(decyloxy)benzoate is optimized for efficiency and scalability. Modern synthetic routes leverage catalytic processes that minimize waste and maximize yield, aligning with green chemistry principles. These advancements ensure that the compound can be produced reliably and cost-effectively, meeting the growing demand from both academic research institutions and industrial manufacturers.

The safety profile of Methyl 4-(decyloxy)benzoate is another critical aspect that has been thoroughly evaluated. Extensive toxicological studies have been conducted to assess its acute and chronic effects on human health and the environment. These studies have consistently shown that the compound is well-tolerated at typical exposure levels, further supporting its widespread use in various applications. Regulatory agencies have reviewed these findings and have classified Methyl 4-(decyloxy)benzoate as a substance with low toxicity, reinforcing its safety for industrial and pharmaceutical use.

Future research directions for Methyl 4-(decyloxy)benzoate are focused on expanding its applications into emerging fields such as nanotechnology and personalized medicine. The compound's unique structural features offer opportunities for its integration into nanocarriers designed for targeted drug delivery. By leveraging its solubilizing properties, researchers aim to develop formulations that can deliver therapeutic agents directly to diseased cells while minimizing side effects on healthy tissues.

In conclusion, Methyl 4-(decyloxy)benzoate (CAS No. 62443-10-1) is a multifunctional compound with significant potential across multiple industries. Its role in pharmaceuticals continues to evolve as new applications are discovered, particularly in drug delivery systems where its ability to enhance bioavailability is highly valued. In materials science, its incorporation into polymers enhances performance characteristics, making it indispensable for advanced material design. As research progresses, the versatility of Methyl 4-(decyloxy)benzoate will undoubtedly lead to even more innovative uses, solidifying its position as a cornerstone chemical in modern science and industry.

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