Cas no 58106-26-6 (4-Methoxy-2,5-dimethylbenzoic acid)

4-Methoxy-2,5-dimethylbenzoic acid is a substituted benzoic acid derivative featuring methoxy and methyl functional groups at the 4-, 2-, and 5-positions of the aromatic ring. This compound is valued for its role as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The electron-donating methoxy and methyl groups enhance its reactivity in electrophilic substitution and coupling reactions, making it useful for constructing complex molecular frameworks. Its crystalline solid form and well-defined structure facilitate purification and handling. The compound’s stability under standard conditions ensures consistent performance in synthetic applications.
4-Methoxy-2,5-dimethylbenzoic acid structure
58106-26-6 structure
Product Name:4-Methoxy-2,5-dimethylbenzoic acid
CAS No:58106-26-6
MF:C10H12O3
MW:180.200483322144
MDL:MFCD01194285
CID:826256
PubChem ID:2752036
Update Time:2025-11-05

4-Methoxy-2,5-dimethylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Methoxy-2,5-dimethylbenzoic acid
    • 2,5-Dimethyl-4-methoxybenzoic acid
    • WXUIXMXEFZKIBM-UHFFFAOYSA-N
    • 8593AB
    • 4-methyoxy-2,5-dimethylbenzoic acid
    • BC600040
    • ST2405851
    • AS-40443
    • DB-332382
    • 58106-26-6
    • MFCD01194285
    • DTXSID60372871
    • DB-072422
    • CS-0179879
    • 4-methoxy-2,5-dimethylbenzoicacid
    • SCHEMBL2139729
    • AKOS004907090
    • MDL: MFCD01194285
    • Inchi: 1S/C10H12O3/c1-6-5-9(13-3)7(2)4-8(6)10(11)12/h4-5H,1-3H3,(H,11,12)
    • InChI Key: WXUIXMXEFZKIBM-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC(C)=C(C(=O)O)C=C1C

Computed Properties

  • Exact Mass: 180.07900
  • Monoisotopic Mass: 180.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 191
  • 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: 46.5
  • XLogP3: 2.1

Experimental Properties

  • PSA: 46.53000
  • LogP: 2.01020

4-Methoxy-2,5-dimethylbenzoic acid Security Information

  • HazardClass:IRRITANT

4-Methoxy-2,5-dimethylbenzoic acid 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%

4-Methoxy-2,5-dimethylbenzoic acid Pricemore >>

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Additional information on 4-Methoxy-2,5-dimethylbenzoic acid

Comprehensive Guide to 4-Methoxy-2,5-dimethylbenzoic acid (CAS No. 58106-26-6): Properties, Applications, and Industry Insights

4-Methoxy-2,5-dimethylbenzoic acid (CAS No. 58106-26-6) is a specialized organic compound widely recognized for its unique chemical structure and versatile applications. This aromatic carboxylic acid derivative features a methoxy group and two methyl substituents on the benzene ring, contributing to its distinct physicochemical properties. As demand grows for fine chemicals and pharmaceutical intermediates, this compound has garnered significant attention from researchers and industrial manufacturers alike.

The molecular formula of 4-Methoxy-2,5-dimethylbenzoic acid is C10H12O3, with a molecular weight of 180.20 g/mol. Its CAS registry number (58106-26-6) serves as a unique identifier in global chemical databases, ensuring precise tracking in supply chains. The compound typically appears as a white to off-white crystalline powder, soluble in organic solvents like ethanol and acetone but with limited solubility in water. These characteristics make it valuable for organic synthesis and material science applications.

In the pharmaceutical sector, 4-Methoxy-2,5-dimethylbenzoic acid is explored as a potential building block for drug discovery. Its structural motifs are relevant to nonsteroidal anti-inflammatory drugs (NSAIDs) and biologically active compounds. Recent studies highlight its role in modulating enzymatic activity, aligning with trends in targeted therapy development. Researchers also investigate its derivatives for antioxidant properties, responding to growing interest in oxidative stress management.

The compound’s applications extend to flavor and fragrance industries, where its aromatic profile contributes to complex scent formulations. With rising demand for natural-identical ingredients, 4-Methoxy-2,5-dimethylbenzoic acid offers synthetic versatility while meeting regulatory standards for consumer products. Its stability under various pH conditions makes it suitable for cosmetic preservatives and personal care formulations.

From an industrial perspective, synthesis routes for CAS 58106-26-6 often involve Friedel-Crafts acylation or oxidation of pre-functionalized toluene derivatives. Advances in green chemistry have prompted optimization of these processes to reduce energy consumption and waste generation. This aligns with the sustainable manufacturing trends dominating chemical industry discussions.

Quality control of 4-Methoxy-2,5-dimethylbenzoic acid relies on analytical techniques like HPLC and GC-MS, ensuring compliance with pharmaceutical-grade purity standards. Storage recommendations typically emphasize protection from moisture and light to maintain stability, reflecting best practices for chemical handling.

Emerging research explores the compound’s potential in advanced materials, particularly as a monomer for polymeric coatings with enhanced thermal resistance. This intersects with the booming electronics materials market, where heat-resistant polymers are in high demand.

Regulatory status varies by region, but 58106-26-6 generally falls under standard chemical safety protocols. Manufacturers and users should consult REACH or FDA guidelines for specific applications, especially in food-contact materials or medical devices.

As the scientific community continues to investigate multifunctional benzoic acid derivatives, 4-Methoxy-2,5-dimethylbenzoic acid remains a compound of significant interest. Its balance of synthetic accessibility and functional diversity positions it as a valuable asset across multiple industries, from life sciences to specialty chemicals.

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