Cas no 19781-82-9 (5-Heptyn-3-ol)

5-Heptyn-3-ol structure
5-Heptyn-3-ol structure
Product Name:5-Heptyn-3-ol
CAS No:19781-82-9
MF:C7H12O
MW:112.169582366943
MDL:MFCD00046680
CID:908412
Update Time:2025-04-19

5-Heptyn-3-ol Chemical and Physical Properties

Names and Identifiers

    • 5-Heptyn-3-ol
    • hept-5-yn-3-ol
    • 4-hexyn-2-ol
    • TIMTEC-BB SBB008802
    • 5-HEPTYN-3-OL 98%
    • 5-HEPTYN-3-OL 97+%
    • MDL： MFCD00046680
    • Inchi： 1S/C7H12O/c1-3-5-6-7(8)4-2/h7-8H,4,6H2,1-2H3
    • InChI Key： VOHBMHAELZLACG-UHFFFAOYSA-N
    • SMILES： OC(CC#CC)CC

Computed Properties

  • Exact Mass: 112.08900
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 104
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.6

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.89
  • Melting Point: 142-144°C
  • Boiling Point: 180.13°C (rough estimate)
  • Refractive Index: 1.4540 to 1.4570
  • PSA: 20.23000
  • LogP: 1.17070
  • Solubility: Not determined

5-Heptyn-3-ol Security Information

5-Heptyn-3-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%

5-Heptyn-3-ol Pricemore >>

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