Cas no 3746-39-2 (Acetic acid,2-mercapto-, dodecyl ester)

Acetic acid, 2-mercapto-, dodecyl ester is a sulfur-containing organic compound with the molecular formula C??H??O?S. This ester combines a thiol (mercapto) group with a long-chain dodecyl moiety, imparting unique chemical properties. Its structure provides both hydrophobic and nucleophilic characteristics, making it useful in applications such as polymer modification, corrosion inhibition, and surfactant synthesis. The thiol group enables reactivity with metal surfaces or unsaturated bonds, while the dodecyl chain enhances solubility in nonpolar media. This compound may also serve as an intermediate in specialty chemical synthesis, particularly where controlled hydrophobicity and sulfur-based functionality are required. Proper handling is advised due to potential thiol-related odor and reactivity.
Acetic acid,2-mercapto-, dodecyl ester structure
3746-39-2 structure
Product Name:Acetic acid,2-mercapto-, dodecyl ester
CAS No:3746-39-2
MF:C14H28O2S
MW:260.435923576355
CID:311432
PubChem ID:19546
Update Time:2025-05-23

Acetic acid,2-mercapto-, dodecyl ester Chemical and Physical Properties

Names and Identifiers

    • Acetic acid,2-mercapto-, dodecyl ester
    • dodecyl 2-sulfanylacetate
    • N-DODECYLTHIOGLYCOLATE
    • ACETIC ACID,MERCAPTO-,DODECYL ESTER
    • Dodecyl mercaptoacetate
    • Dodecyl thioglycolate
    • Dodecyloxycarbonylmethylmercaptan
    • Dodecylthioglycolat
    • Lauryl thioglycolate
    • mercapto-acetic acid dodecyl ester
    • Mercapto-essigsaeure-dodecylester
    • Thioglykolsaeure-dodecylester
    • TVMDUMQNXXNGMG-UHFFFAOYSA-N
    • Q27265206
    • ACETIC ACID, MERCAPTO-, DODECYL ESTER [HSDB]
    • ACETIC ACID,MERCAPTO,DODECYL ESTER THIOGLYCOLIC ACID,DODECYL ESTER
    • AKOS024333970
    • DODECYL ALCOHOL, MERCAPTOACETATE, HYDROCHLORIDE
    • NS00030197
    • Acetic acid, 2-mercapto-, dodecyl ester
    • UNII-6NP1056251
    • InChI=1/C14H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17/h17H,2-13H2,1H
    • ACETIC ACID, MERCAPTO-, DODECYL ESTER
    • 6NP1056251
    • Dodecylthioglykolat
    • HSDB 2703
    • Dodecyl sulfanylacetate #
    • 3746-39-2
    • DTXSID9063160
    • dodecyl 2-mercaptoacetate
    • SCHEMBL36142
    • n-Dodecyl thioglycolate
    • EINECS 223-138-5
    • Inchi: 1S/C14H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17/h17H,2-13H2,1H3
    • InChI Key: TVMDUMQNXXNGMG-UHFFFAOYSA-N
    • SMILES: SCC(=O)OCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 260.18100
  • Monoisotopic Mass: 260.18100131g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 13
  • Complexity: 172
  • 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: 5.9
  • Topological Polar Surface Area: 27.3?2

Experimental Properties

  • PSA: 65.10000
  • LogP: 4.38030

Acetic acid,2-mercapto-, dodecyl ester Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Additional information on Acetic acid,2-mercapto-, dodecyl ester

Acetic Acid, 2-Mercapto-, Dodecyl Ester: A Comprehensive Overview

The compound with CAS No 3746-39-2, commonly referred to as Acetic acid, 2-mercapto-, dodecyl ester, is a significant molecule in the field of organic chemistry. This compound is a derivative of acetic acid, where the hydroxyl group is replaced by a dodecyl ester group, and the mercapto (-SH) group is attached to the second carbon of the acetic acid backbone. Its structure makes it versatile for various applications in industries such as pharmaceuticals, agriculture, and materials science.

Acetic acid, 2-mercapto-, dodecyl ester exhibits unique chemical properties due to the presence of both the mercapto and ester functional groups. The mercapto group imparts nucleophilic character, enabling it to participate in reactions such as nucleophilic substitution and addition. On the other hand, the ester group contributes to its solubility in organic solvents and its ability to form complexes with metal ions. Recent studies have highlighted its potential as a chelating agent in heavy metal removal processes, making it a valuable compound in environmental remediation.

The synthesis of Acetic acid, 2-mercapto-, dodecyl ester involves a multi-step process that typically begins with the preparation of 2-mercaptobenzoic acid. This intermediate is then subjected to esterification with dodecanol under acidic conditions to yield the final product. Researchers have explored various catalysts and reaction conditions to optimize this process, leading to higher yields and purities.

In terms of applications, Acetic acid, 2-mercapto-, dodecyl ester has found significant use in the pharmaceutical industry as an intermediate in drug synthesis. Its ability to form stable complexes with metal ions has made it a valuable component in formulations requiring controlled release mechanisms. Additionally, recent advancements have demonstrated its potential in nanotechnology, where it serves as a stabilizing agent for nanoparticles used in drug delivery systems.

One of the most promising areas of research involving Acetic acid, 2-mercapto-, dodecyl ester is its role in biocatalysis. Studies have shown that this compound can enhance the activity and stability of enzymes used in industrial processes. By acting as a co-solvent or stabilizing agent, it enables enzymes to function under harsh conditions that would otherwise denature them. This has opened up new possibilities for its use in bio-based manufacturing processes.

Furthermore, Acetic acid, 2-mercapto-, dodecyl ester has been investigated for its antioxidant properties. The mercapto group contributes significantly to its ability to scavenge free radicals, making it a potential candidate for use in cosmetic products and food additives where antioxidant activity is desired. Recent clinical trials have also explored its potential as an adjuvant in cancer therapy due to its ability to modulate cellular redox states.

In conclusion, Acetic acid, 2-mercapto-, dodecyl ester (CAS No 3746-39-2) is a multifaceted compound with diverse applications across various industries. Its unique chemical properties and functional groups make it an invaluable tool in modern chemistry. As research continues to uncover new uses and optimize existing applications, this compound is poised to play an even more significant role in advancing technological and scientific frontiers.

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