Cas no 33774-66-2 ((2-hexanoyloxy-3-hydroxy-propyl) hexanoate)

(2-Hexanoyloxy-3-hydroxy-propyl) hexanoate is a diester compound featuring both hexanoate and hydroxypropyl functional groups. Its balanced hydrophobic and hydrophilic properties make it suitable for applications requiring controlled solubility and mild surfactant behavior. The compound’s ester linkages contribute to its stability under moderate conditions, while the hydroxyl group offers reactivity for further derivatization. It is often utilized as an intermediate in specialty chemical synthesis, particularly in the production of emulsifiers, plasticizers, or cosmetic ingredients. The dual ester structure enhances compatibility with both polar and nonpolar matrices, facilitating homogeneous formulations. Its low volatility and predictable degradation profile further support its use in industrial and laboratory settings.
(2-hexanoyloxy-3-hydroxy-propyl) hexanoate structure
33774-66-2 structure
Product Name:(2-hexanoyloxy-3-hydroxy-propyl) hexanoate
CAS No:33774-66-2
MF:C15H28O5
MW:288.379825592041
CID:323579
PubChem ID:152222
Update Time:2025-07-15

(2-hexanoyloxy-3-hydroxy-propyl) hexanoate Chemical and Physical Properties

Names and Identifiers

    • (2-hexanoyloxy-3-hydroxy-propyl) hexanoate
    • (+/-)-1,2-DIDECANOYLGLYCEROL
    • Dicaprin
    • 1,2-DICAPRIN
    • 1,2-DICAPRYL-SN-GLYCEROL
    • 1,2-DIDECANOYL-RAC-GLYCEROL
    • 10:0 DG
    • DIDECANOIN
    • Hexanoic acid, diester with 1,2,3-propanetriol
    • 1,2-Dimyristoyl-rac-glycerol, ~99%
    • (2-hexanoyloxy-3-hydroxypropyl) hexanoate
    • 33774-66-2
    • 3-Hydroxypropane-1,2-diyl dihexanoate
    • PD049809
    • 17598-91-3
    • DTXSID30938726
    • 1,2-dicaproylglycerol
    • CHEBI:177077
    • 1-(hexanoyloxy)-3-hydroxypropan-2-yl hexanoate
    • 30403-47-5
    • 2-(hexanoyloxy)-1-(hydroxymethyl)ethyl hexanoate
    • Hexanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester
    • SCHEMBL2195274
    • 108648-10-8
    • 1,2-Dihexanoylglycerol
    • Inchi: 1S/C15H28O5/c1-3-5-7-9-14(17)19-12-13(11-16)20-15(18)10-8-6-4-2/h13,16H,3-12H2,1-2H3
    • InChI Key: DRUFTGMQJWWIOL-UHFFFAOYSA-N
    • SMILES: O(C(CCCCC)=O)C(CO)COC(CCCCC)=O

Computed Properties

  • Exact Mass: 288.19374
  • Monoisotopic Mass: 288.194
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 14
  • Complexity: 265
  • 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: 72.8A^2
  • XLogP3: 3.2

Experimental Properties

  • Density: 1.026 g/cm3
  • Boiling Point: 372oC at 760 mmHg
  • Flash Point: 123.7oC
  • Refractive Index: 1.457
  • PSA: 72.83
  • LogP: 5.71510

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Additional information on (2-hexanoyloxy-3-hydroxy-propyl) hexanoate

Introduction to (2-hexanoyloxy-3-hydroxy-propyl) hexanoate and Its Significance in Modern Chemical Research

The compound with the CAS number 33774-66-2 is a fascinating molecule that has garnered attention in the field of chemical biology and pharmaceutical research. The systematic name, (2-hexanoyloxy-3-hydroxy-propyl) hexanoate, provides a detailed insight into its structural characteristics, which are crucial for understanding its potential applications and interactions. This introduction aims to explore the compound's properties, recent advancements in its study, and its relevance in contemporary scientific endeavors.

In the realm of organic chemistry, esters play a pivotal role due to their diverse reactivity and biological significance. The structure of (2-hexanoyloxy-3-hydroxy-propyl) hexanoate features both hydroxyl and ester functional groups, which make it a versatile intermediate in synthetic chemistry. The presence of these functional groups allows for a wide range of chemical modifications, making it a valuable building block for the synthesis of more complex molecules.

Recent studies have highlighted the potential of this compound in drug development. Its unique structural motif has been explored for its ability to interact with biological targets, particularly in the context of enzyme inhibition and receptor binding. The hydroxyl group at the 3-position and the ester group at the 2-position provide multiple sites for functionalization, enabling researchers to tailor the molecule's properties for specific applications.

One of the most intriguing aspects of (2-hexanoyloxy-3-hydroxy-propyl) hexanoate is its role in the synthesis of bioactive molecules. Researchers have leveraged its structural features to develop novel compounds with therapeutic potential. For instance, derivatives of this molecule have been investigated for their anti-inflammatory and antioxidant properties. These studies suggest that modifications to the hydroxyl and ester groups can significantly influence the biological activity of the compound.

The compound's utility extends beyond drug development. It has been utilized as a precursor in the synthesis of polymers and coatings, where its ester linkage contributes to film-forming properties. Additionally, its compatibility with various solvents makes it a suitable candidate for industrial applications, particularly in formulations requiring controlled release properties.

In terms of analytical chemistry, (2-hexanoyloxy-3-hydroxy-propyl) hexanoate has been employed in method development for high-performance liquid chromatography (HPLC) and gas chromatography (GC). Its distinct retention times and spectral characteristics make it an ideal internal standard for quantitative analysis. This has been particularly useful in pharmaceutical quality control, where precise measurement of active ingredients is crucial.

The synthesis of this compound involves multi-step organic reactions, showcasing the expertise required in modern chemical synthesis. Advanced techniques such as transesterification and condensation reactions are commonly employed to construct the desired structure. The optimization of these reactions is critical to achieving high yields and purity, which are essential for subsequent applications.

From a regulatory perspective, compounds like (2-hexanoyloxy-3-hydroxy-propyl) hexanoate must adhere to stringent guidelines to ensure safety and efficacy. Documentation of synthetic pathways, impurity profiles, and stability data are integral parts of bringing such molecules into practical use. Collaborative efforts between chemists, biologists, and regulatory experts are necessary to navigate these complexities.

The future prospects of this compound are promising, with ongoing research exploring new synthetic routes and applications. Innovations in computational chemistry are also aiding in the design of derivatives with enhanced properties. By integrating experimental data with predictive modeling, scientists can accelerate the discovery process and identify novel compounds with therapeutic potential.

In conclusion, (2-hexanoyloxy-3-hydroxy-propyl) hexanoate represents a significant advancement in chemical research. Its unique structure and functional groups offer numerous opportunities for innovation across various sectors. As our understanding of molecular interactions continues to evolve, compounds like this will play an increasingly important role in shaping the future of pharmaceuticals and materials science.

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