Cas no 2918-13-0 (hept-1-en-3-one)

hept-1-en-3-one structure
hept-1-en-3-one structure
Product Name:hept-1-en-3-one
CAS No:2918-13-0
MF:C7H12O
MW:112.169582366943
CID:43578
PubChem ID:520420
Update Time:2025-04-18

hept-1-en-3-one Chemical and Physical Properties

Names and Identifiers

    • 1-Hepten-3-one
    • hept-1-en-3-one
    • 1hepten-3-one
    • 1-heptene-3-one
    • 3-oxo-1-heptene
    • butyl vinyl ketone
    • n-butyl vinyl ketone
    • n-butylacrolein
    • Vinyl butyl ketone
    • 2918-13-0
    • AKOS006271816
    • Q25384949
    • SCHEMBL182308
    • NS00124249
    • OYLCUJRJCUXQBQ-UHFFFAOYSA-N
    • EN300-1700009
    • DTXSID50183438
    • CHEBI:87567
    • LMFA12000098
    • Inchi: 1S/C7H12O/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3
    • InChI Key: OYLCUJRJCUXQBQ-UHFFFAOYSA-N
    • SMILES: O=C(C=C)CCCC

Computed Properties

  • Exact Mass: 112.08900
  • Monoisotopic Mass: 112.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 4
  • Complexity: 84.4
  • 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: 2
  • XLogP3: 1.9
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • Density: 0.8434
  • Boiling Point: 165.13°C (estimate)
  • Flash Point: 44.1°C
  • Refractive Index: 1.4305
  • PSA: 17.07000
  • LogP: 1.93170

hept-1-en-3-one Customs Data

  • HS CODE:2914190090
  • Customs Data:

    China Customs Code:

    2914190090

    Overview:

    2914190090 Other acyclic ketones without other oxygen-containing groups.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, Acetone declared packaging

    Summary:

    2914190090 other acyclic ketones without other oxygen function.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

hept-1-en-3-one Pricemore >>

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