Cas no 51664-96-1 (Methyl 2,4,5-trimethylbenzoate)

Methyl 2,4,5-trimethylbenzoate is a benzoate ester derivative characterized by its trimethyl-substituted aromatic ring. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the production of fine chemicals, pharmaceuticals, and agrochemicals. Its sterically hindered structure and ester functionality make it valuable for applications requiring controlled reactivity and stability. The compound exhibits good solubility in common organic solvents, facilitating its use in various reaction conditions. Its well-defined molecular structure ensures consistent performance in synthetic pathways. Methyl 2,4,5-trimethylbenzoate is typically handled under standard laboratory conditions, with attention to appropriate storage to maintain purity and shelf stability.
Methyl 2,4,5-trimethylbenzoate structure
51664-96-1 structure
Product Name:Methyl 2,4,5-trimethylbenzoate
CAS No:51664-96-1
MF:C11H14O2
MW:178.227663516998
CID:2185682
PubChem ID:590234
Update Time:2025-11-06

Methyl 2,4,5-trimethylbenzoate Chemical and Physical Properties

Names and Identifiers

    • 2,4,5-Trimethylbenzoic acid methyl ester
    • Methyl 2,4,5-trimethylbenzoate
    • Benzoic acid, 2,4,5-trimethyl-, methyl ester
    • DPELCYPYLWXHAP-UHFFFAOYSA-N
    • Methyl 2,4,5-trimethylbenzoate #
    • 51664-96-1
    • F81652
    • AKOS006272737
    • DB-302306
    • SCHEMBL3207481
    • Inchi: 1S/C11H14O2/c1-7-5-9(3)10(6-8(7)2)11(12)13-4/h5-6H,1-4H3
    • InChI Key: DPELCYPYLWXHAP-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC(C)=C(C)C=C1C)=O

Computed Properties

  • Exact Mass: 178.099379685g/mol
  • Monoisotopic Mass: 178.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 189
  • 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: 26.3
  • XLogP3: 2.9

Methyl 2,4,5-trimethylbenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Bestfluorodrug
YF0090134-1.0g
methyl 2,4,5-trimethylbenzoate
51664-96-1 97%
1.0g
¥1200 2023-01-04
Bestfluorodrug
YF0090134-5.0g
methyl 2,4,5-trimethylbenzoate
51664-96-1 97%
5.0g
¥3720 2023-01-04
Bestfluorodrug
YF0090134-1g
methyl 2,4,5-trimethylbenzoate
51664-96-1 97%
1g
¥1200 2023-09-19
Bestfluorodrug
YF0090134-5g
methyl 2,4,5-trimethylbenzoate
51664-96-1 97%
5g
¥3720 2023-09-19

Methyl 2,4,5-trimethylbenzoate Related Literature

Additional information on Methyl 2,4,5-trimethylbenzoate

Comprehensive Overview of Methyl 2,4,5-trimethylbenzoate (CAS No. 51664-96-1): Properties, Applications, and Industry Insights

Methyl 2,4,5-trimethylbenzoate (CAS No. 51664-96-1) is an organic ester compound widely recognized for its versatile applications in fragrances, pharmaceuticals, and specialty chemicals. With the growing demand for sustainable and high-performance additives, this compound has garnered significant attention due to its unique molecular structure and functional properties. The methyl ester derivative of trimethylbenzoic acid offers excellent stability and solubility, making it a preferred choice in formulations requiring precise chemical modifications.

In recent years, the surge in searches for "bio-based aromatic esters" and "green chemistry alternatives" has highlighted the relevance of compounds like Methyl 2,4,5-trimethylbenzoate. Researchers and manufacturers are increasingly exploring its potential as a low-impact synthetic intermediate, aligning with global trends toward eco-friendly production processes. Its CAS No. 51664-96-1 is frequently cited in patents and academic studies focusing on odor masking agents and flavor enhancers, reflecting its cross-industry utility.

The chemical's structural features—a benzene ring with three methyl groups and an ester functional group—contribute to its thermal stability and low volatility. These characteristics make it suitable for high-temperature applications, such as polymer stabilizers or cosmetic preservatives. Notably, its compatibility with UV-resistant coatings has sparked interest in the materials science community, particularly for outdoor durability solutions.

From an analytical perspective, Methyl 2,4,5-trimethylbenzoate is often characterized using GC-MS (Gas Chromatography-Mass Spectrometry) and NMR spectroscopy, techniques commonly queried by laboratory professionals. Its purity and isomer distribution are critical for end-use performance, driving demand for high-grade synthesis protocols. Recent advancements in catalytic esterification have optimized its production efficiency, addressing cost and scalability challenges.

In the fragrance industry, this ester is valued for its woody-amber notes, frequently appearing in premium perfumery compositions. Consumer searches for "long-lasting fragrance fixatives" correlate with its use as a base note extender. Additionally, its non-toxic profile aligns with regulatory shifts favoring safer cosmetic ingredients, further boosting its market adoption.

Looking ahead, innovations in biocatalysis and solvent-free synthesis may expand the applications of Methyl 2,4,5-trimethylbenzoate. As industries prioritize carbon footprint reduction, this compound’s role in sustainable manufacturing pipelines is poised to grow. Its CAS No. 51664-96-1 remains a key identifier for researchers navigating the intersection of organic chemistry and environmental responsibility.

Recommended suppliers
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.