Cas no 31778-15-1 (Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate))

Octadecyl 3-Mercaptopropionate (containing approximately 12% Hexadecyl 3-Mercaptopropionate) is a thiol-functionalized ester compound used primarily as a surface modifier and chain transfer agent in polymer chemistry. Its long alkyl chains (C16 and C18) enhance compatibility with hydrophobic matrices, while the thiol group enables efficient radical-mediated reactions, such as thiol-ene click chemistry. This product is valued for its ability to modify material surfaces, improve adhesion, and control polymer molecular weight during synthesis. The mixed alkyl chain composition (C16/C18) provides tunable solubility and reactivity, making it suitable for applications in coatings, adhesives, and specialty polymers. Its stability and controlled reactivity ensure consistent performance in industrial processes.
Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate) structure
31778-15-1 structure
Product Name:Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate)
CAS No:31778-15-1
MF:C21H42O2S
MW:358.621985912323
MDL:MFCD00046844
CID:321824
PubChem ID:87561347
Update Time:2025-06-22

Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate) Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,3-mercapto-, octadecyl ester
    • Octadecyl 3-Mercaptopropionate
    • octadecyl 3-sulfanylpropanoate
    • STEARYL MERCAPTOPROPIONATE
    • 3-Mercaptopropionic Acid Stearyl Ester
    • EINECS 250-801-6
    • Stearyl 3-Mercaptopropionate
    • 3-mercapto-propanoic acid octadecyl ester
    • 3-Mercaptopropionic Acid Octadecyl Ester (contains ca. 12% Hexadecyl 3-Mercaptopropionate)
    • 3-Mercaptopropionic Acid Stearyl Ester (contains ca. 12% Hexadecyl 3-Mercaptopropionate)
    • Stearyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate)
    • Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate)
    • MDL: MFCD00046844
    • Inchi: 1S/C21H42O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21(22)18-20-24/h24H,2-20H2,1H3
    • InChI Key: UCUPUEARJPTGKU-UHFFFAOYSA-N
    • SMILES: SCCC(=O)OCCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 358.29100
  • Monoisotopic Mass: 358.291
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 20
  • Complexity: 256
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 27.3A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.913
  • Boiling Point: 443.3°Cat760mmHg
  • Flash Point: 281°C
  • Refractive Index: 1.467
  • PSA: 65.10000
  • LogP: 7.11100
  • Solubility: Not determined

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Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate) Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:31778-15-1)Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate)
Order Number:A1203930
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:51
Price ($):310.0

Additional information on Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate)

Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate): A Comprehensive Overview

Octadecyl 3-Mercaptopropionate, a compound with the CAS number 31778-15-1, is a specialized chemical entity that has garnered significant attention in the field of chemical and pharmaceutical research. This compound, often used in various industrial and laboratory applications, is characterized by its unique molecular structure and functional properties. The presence of approximately 12% Hexadecyl 3-Mercaptopropionate as an impurity or co-component further enhances its utility in specific chemical reactions and formulations.

The molecular structure of Octadecyl 3-Mercaptopropionate consists of a long alkyl chain (octadecyl) attached to a mercapto-functionalized propionic acid moiety. This configuration imparts both hydrophobic and thiol-reactive properties, making it a versatile reagent in organic synthesis and material science. The mercapto group (-SH) is particularly noteworthy, as it participates in various chemical transformations, including nucleophilic substitution reactions, disulfide bond formation, and metal chelation.

In recent years, Octadecyl 3-Mercaptopropionate has found applications in the development of novel drug delivery systems and biomaterials. Its ability to form stable complexes with metal ions has been exploited in the design of contrast agents for medical imaging techniques such as magnetic resonance imaging (MRI). Additionally, the compound's thiol-reactive nature has made it valuable in bioconjugation chemistry, where it serves as a linker for attaching biomolecules like peptides and proteins to larger molecular carriers.

One of the most compelling aspects of Octadecyl 3-Mercaptopropionate is its role in the synthesis of advanced materials. Researchers have utilized this compound to create self-assembling structures and nanomaterials with tailored properties. For instance, its amphiphilic nature allows it to form micelles or vesicles in solution, which can encapsulate and protect sensitive molecules from degradation. These nanostructures have potential applications in drug delivery, where controlled release of therapeutic agents is crucial for efficacy.

The presence of approximately 12% Hexadecyl 3-Mercaptopropionate as a co-component in Octadecyl 3-Mercaptopropionate introduces additional functionality and variability into formulations. Hexadecyl 3-Mercaptopropionate, with its shorter alkyl chain, may alter the physical properties of the mixture, such as solubility and viscosity. This variability can be leveraged to fine-tune the performance of the final product for specific applications. For example, adjusting the ratio of Octadecyl 3-Mercaptopropionate to Hexadecyl 3-Mercaptopropionate can optimize the material's behavior in different environments.

Recent studies have also explored the biological activity of Octadecyl 3-Mercaptopropionate and its derivatives. The mercapto group has been shown to interact with biological targets, including enzymes and receptors, which opens up possibilities for therapeutic applications. Researchers are investigating how modifications to the octadecyl chain can influence these interactions, potentially leading to new treatments for various diseases. The compound's ability to cross cell membranes makes it an attractive candidate for topical treatments and transdermal drug delivery systems.

The industrial production of Octadecyl 3-Mercaptopropionate involves sophisticated synthetic routes that ensure high purity and yield. Advanced catalytic methods have been developed to facilitate the introduction of the mercapto group into the octadecyl chain while minimizing side reactions. These processes are critical for maintaining the compound's integrity and functionality in downstream applications. Furthermore, green chemistry principles are being increasingly adopted in its synthesis to reduce environmental impact and improve sustainability.

The regulatory landscape for Octadecyl 3-Mercaptopropionate is another area of importance. As a chemical entity used in pharmaceuticals and biotechnology, it must comply with stringent safety and quality standards set by agencies such as the U.S. Food and Drug Administration (FDA) and the European Medicines Agency (EMA). Manufacturers must provide comprehensive data on its safety profile, efficacy, and potential interactions with other substances before it can be approved for use in medical products.

In conclusion, Octadecyl 3-Mercaptopropionate is a multifaceted compound with significant potential in various scientific and industrial domains. Its unique molecular properties make it valuable in drug development, material science, and nanotechnology. The inclusion of approximately 12% Hexadecyl 3-Mercaptopropionate adds an extra layer of complexity and utility to this compound. As research continues to uncover new applications and refine synthetic methods, Octadecyl 3-Mercaptopropionate is poised to play an increasingly important role in advancing scientific innovation.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:31778-15-1)Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate)
A1203930
Purity:99%
Quantity:500g
Price ($):310.0
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