Cas no 1642-49-5 (9-decynoic acid)

9-Decynoic acid is a terminal alkyne carboxylic acid with the molecular formula C??H??O?. It features a reactive alkyne group at the 9-position, making it a versatile intermediate in organic synthesis, particularly for click chemistry applications such as copper-catalyzed azide-alkyne cycloaddition (CuAAC). The carboxylic acid functionality allows for further derivatization, enabling its use in the preparation of esters, amides, and other derivatives. This compound is valued for its stability and compatibility with a range of reaction conditions. Its linear hydrocarbon chain also contributes to its utility in surface chemistry and material science, where it can be employed for functionalizing interfaces or modifying polymer properties.
9-decynoic acid structure
9-decynoic acid structure
Product Name:9-decynoic acid
CAS No:1642-49-5
MF:C10H16O2
MW:168.232843399048
MDL:MFCD08064029
CID:865868
PubChem ID:5312603
Update Time:2025-06-07

9-decynoic acid Chemical and Physical Properties

Names and Identifiers

    • 9-decynoic acid
    • dec-9-ynoic acid
    • Dec-9-insaeure
    • SY285632
    • LCZC1162
    • GEO-03731
    • AT18721
    • AS-80486
    • DTXSID70415566
    • CS-0143674
    • SCHEMBL740489
    • BAA64249
    • LMFA01030463
    • 1642-49-5
    • CHEBI:195807
    • MFCD08064029
    • AKOS006286940
    • STL556318
    • DTXCID40366415
    • BBL102515
    • MDL: MFCD08064029
    • Inchi: 1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h1H,3-9H2,(H,11,12)
    • InChI Key: KHOZXYSECXUORA-UHFFFAOYSA-N
    • SMILES: OC(CCCCCCCC#C)=O

Computed Properties

  • Exact Mass: 168.11500
  • Monoisotopic Mass: 168.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 164
  • 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: 3.1
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.0066 (rough estimate)
  • Melting Point: 22°C
  • Boiling Point: 325.33°C (rough estimate)
  • Flash Point: 134.305 °C
  • Refractive Index: 1.4036 (estimate)
  • PSA: 37.30000
  • LogP: 2.43490

9-decynoic acid Customs Data

  • HS CODE:2916190090
  • Customs Data:

    China Customs Code:

    2916190090

    Overview:

    2916190090 Other unsaturated acyclic monocarboxylic acids(Including its anhydride\Acyl halide,Peroxides and peroxyacids and their derivatives).Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

9-decynoic acid Pricemore >>

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Additional information on 9-decynoic acid

9-Decynoic Acid: A Comprehensive Overview

9-Decynoic acid (CAS No. 1642-49-5) is a straight-chain carboxylic acid with a terminal alkyne group at the ninth carbon position. Its chemical formula is C??H??O?, and it exists as a white crystalline solid with a melting point of approximately 130°C. The compound is characterized by its unique structure, which combines the functional groups of a carboxylic acid and an alkyne, making it a versatile molecule with potential applications in various fields.

The synthesis of 9-decynoic acid can be achieved through several methods, including the hydrocyanation of terminal alkynes followed by oxidation to form the carboxylic acid group. This compound has gained attention in recent years due to its potential in materials science, particularly in the development of novel polymers and coatings. Researchers have explored its ability to form stable polymer networks through click chemistry reactions, which are known for their efficiency and selectivity.

One of the most promising applications of 9-decynoic acid is in the field of drug delivery systems. Recent studies have demonstrated that its alkyne group can be used as a bioorthogonal handle for conjugating drugs to targeting molecules. This approach has shown potential in enhancing the specificity and efficacy of therapeutic agents, reducing side effects, and improving patient outcomes.

In addition to its role in drug delivery, 9-decynoic acid has also been investigated for its potential in sustainable chemistry. Scientists have explored its use as a precursor for bio-based polymers, which are increasingly sought after as alternatives to traditional petroleum-derived plastics. The ability to polymerize 9-decynoic acid into materials with tunable properties makes it a valuable candidate for eco-friendly applications.

Recent advancements in analytical techniques have also shed light on the structural properties of 9-decynoic acid. High-resolution mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy have provided detailed insights into its molecular structure, confirming its stability under various conditions. These findings are crucial for optimizing its synthesis and application processes.

The global market for specialty chemicals has seen a growing demand for compounds like 9-decynoic acid, driven by innovations in pharmaceuticals, materials science, and sustainable chemistry. As research continues to uncover new applications, the demand for this compound is expected to rise further.

In conclusion, 9-decynoic acid (CAS No. 1642-49-5) is a multifaceted compound with significant potential across various industries. Its unique chemical structure and versatile functional groups make it an attractive candidate for advanced materials development and innovative therapeutic strategies. As research progresses, we can anticipate even more groundbreaking applications for this remarkable molecule.

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