Cas no 52328-48-0 (4-(tert-Butyl)-2-methoxybenzoic acid)

4-(tert-Butyl)-2-methoxybenzoic acid is a substituted benzoic acid derivative featuring a tert-butyl group at the para position and a methoxy group at the ortho position relative to the carboxylic acid functionality. This structural configuration imparts steric and electronic effects that influence its reactivity and solubility properties. The compound is commonly utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its tert-butyl group enhances lipophilicity, while the methoxy substituent can modulate electronic density, making it valuable for fine-tuning molecular properties in synthetic applications. The product is typically supplied in high purity to ensure consistent performance in demanding chemical processes.
4-(tert-Butyl)-2-methoxybenzoic acid structure
52328-48-0 structure
Product Name:4-(tert-Butyl)-2-methoxybenzoic acid
CAS No:52328-48-0
MF:C12H16O3
MW:208.253643989563
MDL:MFCD07778625
CID:56212
PubChem ID:12613739
Update Time:2025-11-02

4-(tert-Butyl)-2-methoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(tert-Butyl)-2-methoxybenzoic acid
    • 4-tert-butyl-2-methoxybenzoic acid
    • Benzoic acid, 4-(1,1-dimethylethyl)-2-methoxy-
    • 2-methoxy-4-tert-butylbenzoic acid
    • 4-t-butyl-2-methoxybenzoic acid
    • AC-4637
    • 2-Methoxy-4-tert-butylbenzoicacid
    • 4-tert-butyl-2-methoxy benzoic acid
    • CS-W006980
    • MFCD07778625
    • 52328-48-0
    • SCHEMBL106530
    • AKOS022172854
    • DTXSID90504385
    • PUENGTBOCOAFKL-UHFFFAOYSA-N
    • 4-tert-butyl-2-methoxy-benzoic acid
    • AS-33342
    • A829031
    • FT-0657093
    • 4-tert-butyl-2-methoxybenzoicacid
    • DB-080991
    • MDL: MFCD07778625
    • Inchi: 1S/C12H16O3/c1-12(2,3)8-5-6-9(11(13)14)10(7-8)15-4/h5-7H,1-4H3,(H,13,14)
    • InChI Key: PUENGTBOCOAFKL-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C(=O)O)C=CC(=C1)C(C)(C)C

Computed Properties

  • Exact Mass: 208.11000
  • Monoisotopic Mass: 208.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 230
  • 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: 3.3
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Density: 1.081
  • Boiling Point: 314.183 °C at 760 mmHg
  • Flash Point: 314.183 °C at 760 mmHg
  • Refractive Index: 1.517
  • PSA: 46.53000
  • LogP: 2.69090

4-(tert-Butyl)-2-methoxybenzoic 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-(tert-Butyl)-2-methoxybenzoic acid Pricemore >>

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SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
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4-(tert-Butyl)-2-methoxybenzoic acid
52328-48-0 97%
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Additional information on 4-(tert-Butyl)-2-methoxybenzoic acid

Comprehensive Guide to 4-(tert-Butyl)-2-methoxybenzoic acid (CAS No. 52328-48-0): Properties, Applications, and Market Insights

4-(tert-Butyl)-2-methoxybenzoic acid (CAS No. 52328-48-0) is a specialized organic compound widely used in pharmaceutical, agrochemical, and fragrance industries. This benzoic acid derivative features a tert-butyl group and a methoxy substituent, which enhance its stability and reactivity in various chemical processes. Researchers and manufacturers value this compound for its unique molecular structure, making it a key intermediate in synthesizing high-value products.

The growing demand for 4-(tert-Butyl)-2-methoxybenzoic acid is driven by its applications in drug development and flavor & fragrance formulations. With increasing interest in green chemistry and sustainable synthesis, this compound has gained attention for its potential in eco-friendly production methods. Recent studies highlight its role in developing biodegradable materials, aligning with global sustainability trends.

From a chemical perspective, 4-(tert-Butyl)-2-methoxybenzoic acid exhibits excellent solubility in organic solvents like ethanol and dimethyl sulfoxide (DMSO), while remaining stable under standard storage conditions. Its melting point ranges between 120-125°C, and the molecular weight is 208.25 g/mol. These properties make it suitable for precise laboratory applications and industrial-scale production.

In the pharmaceutical sector, CAS 52328-48-0 serves as a crucial building block for non-steroidal anti-inflammatory drugs (NSAIDs) and antimicrobial agents. The compound's structural features allow for efficient drug-target interactions, making it valuable in medicinal chemistry. Recent patent filings indicate growing interest in using this methoxybenzoic acid derivative for novel therapeutic applications, including neuroprotective agents.

The fragrance industry utilizes 4-(tert-Butyl)-2-methoxybenzoic acid as a precursor for synthetic musk compounds and floral scent enhancers. Its ability to modify olfactory profiles has made it popular in perfumery applications, particularly in luxury fragrance formulations. Market analysts project steady growth in demand, driven by the expanding personal care products sector.

Quality control for 52328-48-0 typically involves high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy to ensure purity levels exceeding 98%. Reputable suppliers provide detailed certificates of analysis (CoA), addressing the pharmaceutical industry's stringent requirements. Current research explores advanced purification techniques to achieve even higher purity grades for sensitive applications.

Environmental considerations for 4-(tert-Butyl)-2-methoxybenzoic acid production focus on reducing carbon footprint through optimized synthetic routes. The compound's biodegradation profile has become a key research area, with recent studies examining its environmental persistence and potential green chemistry alternatives. Regulatory compliance remains crucial, with manufacturers adhering to REACH and FDA guidelines for safe handling and transportation.

Emerging applications of CAS 52328-48-0 include its use in advanced material science, particularly in polymer modification and specialty coatings. The compound's aromatic structure contributes to enhanced material properties, opening new possibilities in high-performance polymers. Industry experts anticipate expanded utilization in electronic materials and nanotechnology applications in coming years.

For researchers working with 4-(tert-Butyl)-2-methoxybenzoic acid, proper storage conditions include protection from moisture and maintenance at room temperature. The compound demonstrates good shelf stability when stored in airtight containers with desiccants. Safety data sheets recommend standard laboratory precautions, including the use of personal protective equipment (PPE) during handling.

The global market for benzoic acid derivatives like 52328-48-0 shows consistent growth, with Asia-Pacific emerging as a major production hub. Pricing trends reflect fluctuations in raw material costs, particularly for tert-butyl precursors. Industry reports highlight increasing investment in custom synthesis capabilities to meet diverse application requirements across multiple sectors.

Future research directions for 4-(tert-Butyl)-2-methoxybenzoic acid include exploring its potential in catalysis and asymmetric synthesis. The compound's structural features make it an interesting candidate for developing new chiral auxiliaries in organic chemistry. Academic institutions and pharmaceutical companies are collaborating to unlock novel applications of this versatile chemical intermediate.

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