Cas no 72985-21-8 (5-(hydroxymethyl)-2-methylbenzoic acid)

5-(hydroxymethyl)-2-methylbenzoic acid structure
72985-21-8 structure
Product Name:5-(hydroxymethyl)-2-methylbenzoic acid
CAS No:72985-21-8
MF:C9H10O3
MW:166.173902988434
MDL:MFCD20527392
CID:2129489
PubChem ID:23434396
Update Time:2025-11-02

5-(hydroxymethyl)-2-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-5-hydroxymethyl benzoic acid
    • 5-(hydroxymethyl)-2-methylbenzoic acid
    • starbld0049419
    • 5-Hydroxymethyl-2-methyl-benzoic acid
    • VATJFXXKGNSLIW-UHFFFAOYSA-N
    • 2-(hydroxymethyl)-6-methylbenzoic acid
    • DB-356219
    • 2211-78-1
    • 72985-21-8
    • SCHEMBL5225010
    • MDL: MFCD20527392
    • Inchi: 1S/C9H10O3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H3,(H,11,12)
    • InChI Key: VATJFXXKGNSLIW-UHFFFAOYSA-N
    • SMILES: OCC1C=CC(C)=C(C(=O)O)C=1

Computed Properties

  • Exact Mass: 166.062994177Da
  • Monoisotopic Mass: 166.062994177Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 167
  • 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: 0.9
  • Topological Polar Surface Area: 57.5?2

5-(hydroxymethyl)-2-methylbenzoic acid Pricemore >>

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Additional information on 5-(hydroxymethyl)-2-methylbenzoic acid

Comprehensive Analysis of 5-(Hydroxymethyl)-2-methylbenzoic Acid (CAS No. 72985-21-8): Properties, Applications, and Industry Trends

5-(Hydroxymethyl)-2-methylbenzoic acid (CAS 72985-21-8) is a versatile organic compound gaining attention in pharmaceutical and chemical research due to its unique structural features. As a derivative of benzoic acid, this compound combines a hydroxymethyl group and a methyl substituent on the aromatic ring, making it valuable for synthetic modifications. Researchers frequently search for "5-(Hydroxymethyl)-2-methylbenzoic acid synthesis" or "CAS 72985-21-8 applications," reflecting its growing relevance in drug intermediate development.

The compound’s molecular formula, C9H10O3, and moderate polarity make it soluble in common organic solvents like ethanol and dimethyl sulfoxide (DMSO). Its melting point (typically 150–155°C) and stability under ambient conditions are critical for handling in laboratory settings. Recent studies highlight its role as a precursor for biodegradable polymers, aligning with the global push toward sustainable chemistry. Searches for "green chemistry applications of hydroxymethyl benzoic acids" underscore this trend.

In pharmaceuticals, 5-(Hydroxymethyl)-2-methylbenzoic acid serves as a key intermediate for nonsteroidal anti-inflammatory drugs (NSAIDs) and antimicrobial agents. Its carboxylic acid functionality allows for esterification or amidation, enabling diverse molecular designs. Queries like "CAS 72985-21-8 in drug discovery" or "benzoic acid derivatives for inflammation" dominate academic discussions. Notably, its low toxicity profile (as per preliminary assays) supports its adoption in safer therapeutic formulations.

Industrial applications include its use in specialty coatings and adhesives, where its aromatic structure enhances material durability. The compound’s UV absorption properties also make it a candidate for sunscreen additives, a topic gaining traction due to rising consumer demand for eco-friendly personal care products. SEO trends reveal growing interest in "hydroxymethyl benzoic acid in cosmetics" and "CAS 72985-21-8 safety data."

Analytical methods such as HPLC and NMR spectroscopy are standard for characterizing 72985-21-8. Recent advancements in machine learning-assisted chemical analysis have streamlined its purity assessment, addressing queries like "how to identify 5-(Hydroxymethyl)-2-methylbenzoic acid impurities." Regulatory compliance (e.g., REACH, FDA) further ensures its safe commercial use.

Future research may explore its potential in bio-based materials and catalysis, areas highlighted in "emerging uses of methylbenzoic acid derivatives" searches. With a pKa of ~4.5, its pH-dependent reactivity opens doors for targeted drug delivery systems, a hotspot in precision medicine. Sustainable production methods, including enzymatic synthesis, are also under investigation to reduce environmental impact.

In summary, 5-(Hydroxymethyl)-2-methylbenzoic acid (CAS 72985-21-8) bridges multiple disciplines, from medicine to materials science. Its adaptability to green chemistry principles and alignment with industry demands position it as a compound of enduring significance. As innovation accelerates, this molecule will likely remain a focal point for both academic and industrial R&D efforts.

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