Cas no 6942-58-1 (2-Hydroxyethyl 2-Methylpropanoate)

2-Hydroxyethyl 2-Methylpropanoate is a versatile ester compound characterized by its clear, colorless liquid form and mild odor. It is commonly employed as a solvent or intermediate in organic synthesis, particularly in the production of coatings, adhesives, and specialty chemicals. The compound exhibits favorable solubility in water and organic solvents, enhancing its utility in formulations requiring controlled evaporation rates and compatibility with polar and non-polar systems. Its ester functionality and hydroxyl group contribute to reactivity in polymerization and cross-linking applications. Additionally, its low toxicity and moderate volatility make it suitable for industrial processes requiring balanced handling and performance properties.
2-Hydroxyethyl 2-Methylpropanoate structure
6942-58-1 structure
Product Name:2-Hydroxyethyl 2-Methylpropanoate
CAS No:6942-58-1
MF:C6H12O3
MW:132.157682418823
CID:510002
PubChem ID:81366
Update Time:2025-08-05

2-Hydroxyethyl 2-Methylpropanoate Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,2-methyl-, 2-hydroxyethyl ester
    • 2-hydroxyethyl 2-methylpropanoate
    • 2-hydroxyethyl isobutyrate
    • AC1L316C
    • AC1Q6855
    • AG-G-70146
    • AR-1E2581
    • CTK5C9811
    • EINECS 230-098-2
    • ethylene glycol monoisobutyrate
    • methanol,methyl isobutyrate
    • NSC57270
    • NSC-57270
    • 2-hydroxyethyl2-methylpropanoate
    • F84611
    • 2-hydroxyethylisobutyrate
    • BEKXVQRVZUYDLK-UHFFFAOYSA-N
    • AI3-06116
    • EN300-364583
    • NS00036847
    • SCHEMBL863285
    • 2-hydroxyethyl 2-methylpropionate
    • NSC 57270
    • DTXSID80219577
    • 6942-58-1
    • Propanoic acid, 2-methyl-, 2-hydroxyethyl ester
    • 2-Hydroxyethyl 2-Methylpropanoate
    • Inchi: 1S/C6H12O3/c1-5(2)6(8)9-4-3-7/h5,7H,3-4H2,1-2H3
    • InChI Key: BEKXVQRVZUYDLK-UHFFFAOYSA-N
    • SMILES: O(CCO)C(C(C)C)=O

Computed Properties

  • Exact Mass: 132.07866
  • Monoisotopic Mass: 132.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 88.3
  • 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: 0.5
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53
  • LogP: 0.17790

2-Hydroxyethyl 2-Methylpropanoate Pricemore >>

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Additional information on 2-Hydroxyethyl 2-Methylpropanoate

Professional Introduction to 2-Hydroxyethyl 2-Methylpropanoate (CAS No. 6942-58-1) in Modern Chemical and Pharmaceutical Research

2-Hydroxyethyl 2-Methylpropanoate, identified by the chemical abstracts service number CAS No. 6942-58-1, is a versatile ester compound that has garnered significant attention in the fields of chemical synthesis, drug development, and material science. This compound, characterized by its hydroxyethyl and methylpropanoate functional groups, exhibits unique chemical properties that make it a valuable intermediate in the production of various pharmaceuticals, polymers, and specialty chemicals. Its molecular structure, featuring a branched alkyl chain and a hydroxyl side group, contributes to its reactivity and adaptability in synthetic pathways.

The significance of 2-Hydroxyethyl 2-Methylpropanoate in contemporary research is underscored by its role in the development of novel therapeutic agents. Recent studies have highlighted its potential as a precursor in the synthesis of bioactive molecules, particularly in the realm of anti-inflammatory and analgesic drugs. The compound's ability to undergo esterification and hydrolysis reactions makes it a crucial building block for designing molecules with enhanced pharmacological profiles. For instance, researchers have leveraged its structural motifs to develop derivatives with improved solubility and metabolic stability, which are critical factors in drug formulation.

In the context of material science, 2-Hydroxyethyl 2-Methylpropanoate has been explored for its applications in polymer chemistry. Its incorporation into polymeric matrices enhances the material's flexibility and biodegradability, making it suitable for use in biomedical devices and sustainable packaging solutions. The ester linkage in its structure facilitates cross-linking reactions, enabling the creation of hydrogels with tunable mechanical properties. These hydrogels are particularly relevant in tissue engineering applications, where they serve as scaffolds for cell growth and wound healing.

The compound's chemical behavior is further influenced by its interaction with other functional groups, such as amines and carboxylic acids. This reactivity has been exploited in the synthesis of amides and urethanes, which are key components in drug formulations due to their stability and bioavailability-enhancing properties. For example, derivatives of 2-Hydroxyethyl 2-Methylpropanoate have been incorporated into prodrugs designed to improve the absorption rates of active pharmaceutical ingredients (APIs) while minimizing systemic toxicity.

Advances in computational chemistry have also played a pivotal role in understanding the mechanistic aspects of 2-Hydroxyethyl 2-Methylpropanoate reactions. Molecular modeling studies have revealed insights into how this compound interacts with enzymes and receptors at the molecular level. These insights are invaluable for rational drug design, allowing chemists to predict the efficacy and selectivity of potential drug candidates with greater accuracy. The integration of machine learning algorithms has further accelerated this process by enabling high-throughput screening of structural analogs based on their predicted binding affinities.

The environmental impact of synthesizing and utilizing 2-Hydroxyethyl 2-Methylpropanoate has also been a focus of recent research. Efforts have been directed toward developing greener synthetic routes that minimize waste generation and energy consumption. Catalytic processes using biodegradable solvents or renewable feedstocks have been explored as alternatives to traditional synthetic methods. Such approaches align with global sustainability goals and contribute to reducing the ecological footprint of chemical manufacturing.

Moreover, the pharmaceutical industry has recognized the potential of 2-Hydroxyethyl 2-Methylpropanoate as a key intermediate in producing antiviral agents. Its structural features allow for modifications that enhance interactions with viral proteases and polymerases, thereby inhibiting viral replication. Preclinical studies have demonstrated promising results when this compound is incorporated into formulations targeting emerging infectious diseases. The ability to rapidly modify its structure enables researchers to adapt their strategies in response to evolving viral threats.

In conclusion, 2-Hydroxyethyl 2-Methylpropanoate (CAS No. 6942-58-1) represents a cornerstone compound in modern chemical research with far-reaching implications across pharmaceuticals, materials science, and environmental chemistry. Its unique structural attributes facilitate diverse synthetic pathways, making it indispensable for developing innovative therapeutics and sustainable materials. As research continues to uncover new applications for this compound, its role is expected to expand even further, driving advancements that benefit both industry and society.

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