Cas no 71084-08-7 (9-Dodecyn-1-ol)

9-Dodecyn-1-ol is a terminal alkyne alcohol with the molecular formula C??H??O, characterized by a 12-carbon chain featuring a triple bond at the 9th position and a hydroxyl group at the terminal end. This compound serves as a versatile intermediate in organic synthesis, particularly in click chemistry applications due to its alkyne functionality, enabling efficient coupling reactions such as the copper-catalyzed azide-alkyne cycloaddition (CuAAC). Its amphiphilic nature also makes it useful in surface modification and polymer chemistry. The presence of both reactive sites (hydroxyl and alkyne) allows for further functionalization, enhancing its utility in designing advanced materials and specialty chemicals.
9-Dodecyn-1-ol structure
9-Dodecyn-1-ol structure
Product Name:9-Dodecyn-1-ol
CAS No:71084-08-7
MF:C12H22O
MW:182.302484035492
CID:90522
PubChem ID:117011
Update Time:2025-06-13

9-Dodecyn-1-ol Chemical and Physical Properties

Names and Identifiers

    • 9-Dodecyn-1-ol
    • dodec-9-yn-1-ol
    • 71084-08-7
    • SCHEMBL1537146
    • FT-0621646
    • 1-hydroxy-9-dodecyne
    • AKOS006229359
    • DTXSID3072240
    • SY383510
    • DTXCID6046894
    • G77904
    • MFCD00082940
    • MDL： MFCD00082940
    • Inchi： 1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2,5-12H2,1H3
    • InChI Key： MIDXCKJJIFQOLT-UHFFFAOYSA-N
    • SMILES： OCCCCCCCCC#CCC
    • BRN： 6642771

Computed Properties

  • Exact Mass: 182.16700
  • Monoisotopic Mass: 182.167065
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 7
  • Complexity: 149
  • 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: 3.9
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: Liquid
  • Density: 0.8530 (estimate)
  • Melting Point: 18.8°C (estimate)
  • Boiling Point: 285.73°C (rough estimate)
  • Flash Point: 116.5°C
  • Refractive Index: 1.4625
  • PSA: 20.23000
  • LogP: 3.12280
  • Solubility: Not determined

9-Dodecyn-1-ol Security Information

  • Safety Instruction： S24/25
  • Safety Term：S24/25
  • TSCA：Yes

9-Dodecyn-1-ol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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A2B Chem LLC
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