Cas no 927-57-1 (2-Pentyne-1,4-diol)

2-Pentyne-1,4-diol structure
2-Pentyne-1,4-diol structure
Product Name:2-Pentyne-1,4-diol
CAS No:927-57-1
MF:C5H8O2
MW:100.115821838379
CID:809583
PubChem ID:102518
Update Time:2025-04-19

2-Pentyne-1,4-diol Chemical and Physical Properties

Names and Identifiers

    • 2-Pentyne-1,4-diol
    • pent-2-yne-1,4-diol
    • 2-pentyn-1,4-diol
    • EINECS 213-153-5
    • Pent-2-in-1.4-diol
    • DTXSID80919000
    • 927-57-1
    • EN300-7585666
    • CHEMBL3798796
    • NS00042622
    • SCHEMBL2281853
    • Inchi： 1S/C5H8O2/c1-5(7)3-2-4-6/h5-7H,4H2,1H3
    • InChI Key： WYMDIPTZPQAKJW-UHFFFAOYSA-N
    • SMILES： OC(C#CCO)C

Computed Properties

  • Exact Mass: 100.05200
  • Monoisotopic Mass: 100.052429494g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 95.1
  • 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
  • XLogP3: -0.7
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Density: 1.115±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 134-136 oC (10 Torr)
  • Flash Point: 109.1±13.0 oC,
  • Refractive Index: 1.4819 (589.3 nm 17 oC)
  • Solubility: Dissolution (72 g/l) (25 o C),
  • PSA: 40.46000
  • LogP: -0.63710

2-Pentyne-1,4-diol Customs Data

  • HS CODE：2905399090
  • Customs Data：

    China Customs Code:

    2905399090

    Overview:

    2905399090 Other diols.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:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    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:

    2905399090 other diols.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:5.5%.general tariff:30.0%

2-Pentyne-1,4-diol Pricemore >>

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