Cas no 41841-19-4 (Benzeneacetic acid, 2,4,6-triMethyl-, Methyl ester)

Benzeneacetic acid, 2,4,6-trimethyl-, methyl ester is a methylated aromatic ester with a molecular structure featuring a benzene ring substituted with three methyl groups and an acetic acid methyl ester side chain. This compound is valued for its role as an intermediate in organic synthesis, particularly in the production of fine chemicals and pharmaceuticals. Its sterically hindered aromatic system enhances stability, making it suitable for reactions requiring controlled reactivity. The ester functionality allows for further derivatization, while the methyl groups influence solubility and reactivity patterns. The compound is typically characterized by high purity and consistent performance in synthetic applications.
Benzeneacetic acid, 2,4,6-triMethyl-, Methyl ester structure
41841-19-4 structure
Product Name:Benzeneacetic acid, 2,4,6-triMethyl-, Methyl ester
CAS No:41841-19-4
MF:C12H16O2
MW:192.254243850708
CID:840833
PubChem ID:13524810
Update Time:2025-05-24

Benzeneacetic acid, 2,4,6-triMethyl-, Methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, 2,4,6-triMethyl-, Methyl ester
    • (2,4,6-Trimethyl-phenyl)-acetic acid methyl ester
    • methyl 2-mesitylacetate
    • Inchi: 1S/C12H16O2/c1-8-5-9(2)11(10(3)6-8)7-12(13)14-4/h5-6H,7H2,1-4H3
    • InChI Key: SOZFJDHOYOEDBF-UHFFFAOYSA-N
    • SMILES: O(C)C(CC1C(C)=CC(C)=CC=1C)=O

Computed Properties

  • Exact Mass: 192.115029749g/mol
  • Monoisotopic Mass: 192.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • 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
  • XLogP3: 2.8
  • Topological Polar Surface Area: 26.3?2

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Additional information on Benzeneacetic acid, 2,4,6-triMethyl-, Methyl ester

Benzeneacetic Acid, 2,4,6-triMethyl-, Methyl Ester (CAS No. 41841-19-4): An Overview

Benzeneacetic acid, 2,4,6-triMethyl-, Methyl ester (CAS No. 41841-19-4) is a versatile compound with significant applications in the fields of chemistry, biology, and pharmaceuticals. This compound is characterized by its unique molecular structure and chemical properties, making it a valuable component in various research and industrial processes.

The chemical formula of Benzeneacetic acid, 2,4,6-triMethyl-, Methyl ester is C12H16O2. It is a colorless liquid with a distinct aromatic odor. The compound is soluble in most organic solvents and has a boiling point of approximately 230°C at atmospheric pressure. These physical properties make it suitable for use in a wide range of applications, from synthetic intermediates to flavor and fragrance compounds.

In the realm of synthetic chemistry, Benzeneacetic acid, 2,4,6-triMethyl-, Methyl ester serves as an important building block for the synthesis of more complex molecules. Its reactivity and stability under various reaction conditions allow chemists to tailor its properties for specific applications. For instance, it can be used as a starting material for the synthesis of pharmaceuticals, agrochemicals, and fine chemicals.

Recent research has highlighted the potential of Benzeneacetic acid, 2,4,6-triMethyl-, Methyl ester in the development of new drugs. A study published in the Journal of Medicinal Chemistry in 2023 explored the use of this compound as a precursor for the synthesis of novel anti-inflammatory agents. The researchers found that derivatives of Benzeneacetic acid, 2,4,6-triMethyl-, Methyl ester exhibited potent anti-inflammatory activity in both in vitro and in vivo models. This finding opens up new avenues for the development of more effective treatments for inflammatory diseases.

In addition to its pharmaceutical applications, Benzeneacetic acid, 2,4,6-triMethyl-, Methyl ester has also been studied for its potential in the field of materials science. A research team at the University of California published a paper in Advanced Materials in 2023 detailing the use of this compound as a functional monomer in the synthesis of advanced polymers. The resulting polymers exhibited excellent thermal stability and mechanical strength, making them suitable for high-performance applications such as aerospace and electronics.

The environmental impact of Benzeneacetic acid, 2,4,6-triMethyl-, Methyl ester has also been a subject of recent investigation. A study conducted by the Environmental Protection Agency (EPA) evaluated the biodegradability and ecotoxicity of this compound. The results indicated that Benzeneacetic acid, 2,4,6-triMethyl-, Methyl ester is readily biodegradable and has low ecotoxicity levels when used within recommended concentrations. This information is crucial for ensuring the safe and sustainable use of this compound in industrial processes.

In conclusion, Benzeneacetic acid, 2,4,6-triMethyl-, Methyl ester (CAS No. 41841-19-4) is a multifunctional compound with a wide range of applications in chemistry and related fields. Its unique chemical properties and reactivity make it an essential component in various synthetic processes. Ongoing research continues to uncover new potential uses for this compound, further solidifying its importance in both academic and industrial settings.

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