Cas no 2294-72-6 (5-Undecyne)

5-Undecyne is a terminal alkyne with the molecular formula C??H??, characterized by its linear structure and a triple bond at the terminal position. This compound is commonly employed in organic synthesis as a building block for the preparation of more complex molecules, including pharmaceuticals, agrochemicals, and specialty materials. Its terminal alkyne functionality allows for selective reactions such as Sonogashira coupling, click chemistry, and metal-catalyzed transformations. 5-Undecyne exhibits moderate stability and solubility in common organic solvents, facilitating its use in laboratory and industrial applications. Its well-defined structure and reactivity make it a valuable intermediate for researchers in synthetic and medicinal chemistry.
5-Undecyne structure
5-Undecyne structure
Product Name:5-Undecyne
CAS No:2294-72-6
MF:C11H20
MW:152.276503562927
MDL:MFCD00041657
CID:288359
PubChem ID:137530
Update Time:2025-10-29

5-Undecyne Chemical and Physical Properties

Names and Identifiers

    • 5-Undecyne
    • undec-5-yne
    • 5-C11H20
    • Butyl-pentyl-acetylen
    • AKOS015843255
    • DTXSID40177482
    • VRQLDBSWBBKOCR-UHFFFAOYSA-N
    • FT-0692822
    • 2294-72-6
    • DTXCID7099973
    • DB-242675
    • MDL： MFCD00041657
    • Inchi： 1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3-9H2,1-2H3
    • InChI Key： VRQLDBSWBBKOCR-UHFFFAOYSA-N
    • SMILES： C(CC)CCC#CCCCC

Computed Properties

  • Exact Mass: 152.15700
  • Monoisotopic Mass: 152.156500638g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 122
  • 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: 5
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0,775 g/cm3
  • Melting Point: -74.1°C
  • Boiling Point: 78°C 10mm
  • Refractive Index: 1.4369
  • PSA: 0.00000
  • LogP: 3.76030
  • Solubility: Not determined

5-Undecyne Security Information

  • Hazardous Material transportation number：1993
  • Hazard Category Code： 10
  • Safety Instruction： S16
  • Risk Phrases：R10

5-Undecyne Customs Data

  • HS CODE：2901299090
  • Customs Data：

    China Customs Code:

    2901299090

    Overview:

    2901299090 Other unsaturated acyclic hydrocarbons.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:2.0%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The volume of packaging container used as gaseous fuel shall be reported, Bulk cargo shall be reported

    Summary:

    2901299090 unsaturated acyclic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

5-Undecyne Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
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SHENG KE LU SI SHENG WU JI SHU
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 ￥2332.00 2023-09-05
eNovation Chemicals LLC
D136094-25g
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 $1150 2025-02-21

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