Cas no 88109-73-3 (9-Hexadecyn-1-ol)

9-Hexadecyn-1-ol is a terminal alkyne alcohol with a 16-carbon chain, characterized by the presence of a hydroxyl group at the C1 position and a triple bond at the C9 position. This compound is primarily utilized in organic synthesis and materials science as a building block for more complex molecules, including polymers, surfactants, and bioactive compounds. Its alkyne functionality allows for selective modifications via click chemistry, such as copper-catalyzed azide-alkyne cycloaddition (CuAAC), while the hydroxyl group provides a handle for further derivatization. The long hydrocarbon chain contributes to its amphiphilic properties, making it useful in studies involving self-assembly or interfacial phenomena. It is typically handled under inert conditions due to its reactivity.
9-Hexadecyn-1-ol structure
9-Hexadecyn-1-ol structure
Product Name:9-Hexadecyn-1-ol
CAS No:88109-73-3
MF:C16H30O
MW:238.408805370331
MDL:MFCD00078285
CID:90973
PubChem ID:145155
Update Time:2025-10-29

9-Hexadecyn-1-ol Chemical and Physical Properties

Names and Identifiers

    • 9-Hexadecyn-1-ol
    • hexadec-9-yn-1-ol
    • FT-0621664
    • hexadec-9-yn-ol
    • DTXSID60236823
    • BBJUQSUKHMQMSH-UHFFFAOYSA-N
    • 88109-73-3
    • SCHEMBL21411191
    • AKOS028108587
    • MFCD00078285
    • DTXCID90159314
    • G77880
    • DB-253681
    • MDL: MFCD00078285
    • Inchi: 1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-6,9-16H2,1H3
    • InChI Key: BBJUQSUKHMQMSH-UHFFFAOYSA-N
    • SMILES: OCCCCCCCCC#CCCCCCC

Computed Properties

  • Exact Mass: 238.23000
  • Monoisotopic Mass: 238.23
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 11
  • Complexity: 196
  • 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
  • Topological Polar Surface Area: 20.2A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Density: 0.871
  • Boiling Point: 339.2°C at 760 mmHg
  • Flash Point: 145.5°C
  • Refractive Index: 1.465
  • PSA: 20.23000
  • LogP: 4.68320

9-Hexadecyn-1-ol Security Information

9-Hexadecyn-1-ol Customs Data

  • HS CODE:2905290000
  • Customs Data:

    China Customs Code:

    2905290000

    Overview:

    2905290000 Other unsaturated monohydric alcohols.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2905290000 unsaturated monohydric alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

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