Cas no 63468-14-4 (Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester)

The compound Hexanoic acid, 2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester is a synthetic ester with a branched alkyl chain and a polyether moiety. Its structure combines lipophilic and hydrophilic properties, making it suitable as a solvent, plasticizer, or intermediate in specialty chemical formulations. The presence of the hydroxyethoxy groups enhances solubility in polar media, while the ethylhexanoate backbone contributes to compatibility with hydrophobic matrices. This ester exhibits moderate volatility and stability under typical processing conditions, making it useful in coatings, adhesives, and personal care applications. Its balanced properties allow for tailored performance in systems requiring controlled viscosity, miscibility, or mild surfactant characteristics.
Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester structure
63468-14-4 structure
Product Name:Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester
CAS No:63468-14-4
MF:C14H28O5
MW:276.369125366211
CID:512326
PubChem ID:3017424
Update Time:2025-06-07

Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester
    • 2-(2-(2-Hydroxyethoxy)ethoxy)ethyl 2-ethylhexanoate
    • 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-ethylhexanoate
    • EINECS 264-250-4
    • 63468-14-4
    • YDMUHPNUJGYGMC-UHFFFAOYSA-N
    • NS00055743
    • DTXSID40979701
    • SCHEMBL474747
    • F88103
    • DB-313369
    • Inchi: 1S/C14H28O5/c1-3-5-6-13(4-2)14(16)19-12-11-18-10-9-17-8-7-15/h13,15H,3-12H2,1-2H3
    • InChI Key: YDMUHPNUJGYGMC-UHFFFAOYSA-N
    • SMILES: O(CCOCCOCCO)C(C(CC)CCCC)=O

Computed Properties

  • Exact Mass: 276.19374
  • Monoisotopic Mass: 276.193674
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 14
  • Complexity: 208
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 65
  • XLogP3: 2

Experimental Properties

  • Density: 1.009
  • Boiling Point: 369.7°C at 760 mmHg
  • Flash Point: 125°C
  • Refractive Index: 1.45
  • PSA: 64.99

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Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester Related Literature

Additional information on Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester

Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester (CAS No. 63468-14-4): A Comprehensive Overview

Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester, identified by its CAS number 63468-14-4, is a compound of significant interest in the field of chemical and pharmaceutical research. This compound, characterized by its complex ester structure, has garnered attention due to its potential applications in various biochemical and medicinal contexts. The detailed exploration of this molecule not only highlights its structural uniqueness but also delves into its emerging roles in modern research.

The molecular structure of Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester consists of a hexanoic acid backbone modified with ethyl and ethoxy groups, creating a highly functionalized molecule. This configuration imparts distinct chemical properties that make it a valuable candidate for further investigation. The presence of multiple hydroxyl groups enhances its reactivity, making it a versatile intermediate in organic synthesis and a potential candidate for drug development.

In recent years, the pharmaceutical industry has seen a surge in the exploration of novel compounds with complex structures. Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester stands out as one such compound that has been studied for its pharmacological properties. Its unique structure suggests potential applications in the synthesis of bioactive molecules, including those targeting neurological disorders and inflammatory conditions. The compound's ability to interact with biological targets at multiple sites makes it an intriguing subject for further research.

One of the most compelling aspects of Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester is its role as a building block in the synthesis of more complex molecules. Researchers have utilized this compound to develop novel derivatives with enhanced pharmacological activity. For instance, studies have shown that modifications to the ethyl and ethoxy groups can significantly alter the compound's bioavailability and target specificity. This flexibility makes it an invaluable tool in medicinal chemistry.

The chemical properties of Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester also make it suitable for applications in materials science and industrial chemistry. Its reactivity with other functional groups allows for the creation of polymers and coatings with tailored properties. These materials could find applications in sectors ranging from electronics to biodegradable packaging, showcasing the broad utility of this compound.

Recent advancements in computational chemistry have enabled more precise predictions of the behavior of complex molecules like Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester. By leveraging machine learning algorithms and molecular dynamics simulations, researchers can predict how this compound will interact with biological systems. This approach has accelerated the discovery process and allowed for the rapid identification of promising candidates for further experimental validation.

The synthesis of Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester presents both challenges and opportunities for chemists. While its complex structure requires sophisticated synthetic techniques, the potential rewards are substantial. The development of efficient synthetic routes has been a focus of recent research, with several groups reporting novel methodologies that improve yield and purity. These advancements are crucial for ensuring that sufficient quantities of the compound are available for both research and commercial applications.

The biological activity of Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester has been a subject of intense investigation. Initial studies have suggested that it may possess anti-inflammatory properties, making it a potential candidate for treating conditions such as arthritis and inflammatory bowel disease. Additionally, its ability to modulate cellular signaling pathways has led to interest in its potential role in cancer therapy. These findings underscore the importance of continued research into this compound's pharmacological effects.

The environmental impact of synthesizing and using Hexanoic acid,2-ethyl-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester is also a consideration in modern research practices. Efforts are being made to develop greener synthetic methods that minimize waste and reduce energy consumption. These sustainable approaches not only align with global environmental goals but also enhance the economic viability of producing this compound on a larger scale.

In conclusion, Hexanoic acid, ,








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