Cas no 5609-09-6 (3-Hepten-2-one, (3E)-)

3-Hepten-2-one, (3E)- structure
3-Hepten-2-one, (3E)- structure
Product Name:3-Hepten-2-one, (3E)-
CAS No:5609-09-6
MF:C7H12O
MW:112.169582366943
CID:349885
PubChem ID:5364578
Update Time:2025-04-19

3-Hepten-2-one, (3E)- Chemical and Physical Properties

Names and Identifiers

    • 3-Hepten-2-one, (3E)-
    • (3E)-3-Hepten-2-one;(E)-Hept-3-en-2-one
    • Q27289996
    • Trans-3-hepten-2-one
    • Butylideneacetone
    • TK02T5FJDO
    • EN300-6526683
    • AKOS037644171
    • trans-hept-3-en-2-one
    • 3-Hepten-2-one, AldrichCPR
    • AS-48037
    • (3E)-Hept-3-en-2-one
    • InChI=1/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+
    • AI3-22032
    • UNII-TK02T5FJDO
    • 1119-44-4
    • FEMA 3400
    • 3-Hepten-2-one, (E)-
    • JHHZQADGLDKIPM-AATRIKPKSA-
    • CHEBI:169242
    • 3-HEPTEN-2-ONE
    • BAA11944
    • CS-0152429
    • MFCD00015564
    • EINECS 214-278-8
    • H0838
    • (E)-3-Hepten-2-one
    • (E)-hept-3-en-2-one
    • 3-HEPTEN-2-ONE [FHFI]
    • (3E)-3-Hepten-2-one
    • 5609-09-6
    • F17581
    • LMFA12000103
    • SCHEMBL872905
    • SCHEMBL380479
    • FEMA No. 3400
    • Methyl pentenyl ketone
    • Inchi： 1S/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+
    • InChI Key： JHHZQADGLDKIPM-AATRIKPKSA-N
    • SMILES： O=C(C)/C=C/CCC

Computed Properties

  • Exact Mass: 112.08886
  • Monoisotopic Mass: 112.088815002g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 92.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 0.8496
  • Boiling Point: 165.13°C (estimate)
  • Refractive Index: 1.4436
  • PSA: 17.07

3-Hepten-2-one, (3E)- Pricemore >>

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