Cas no 67785-75-5 (9,13-dimethyltetradeca-1,6,8,12-tetraen-5-one)

9,13-dimethyltetradeca-1,6,8,12-tetraen-5-one structure
67785-75-5 structure
Product Name:9,13-dimethyltetradeca-1,6,8,12-tetraen-5-one
CAS No:67785-75-5
MF:C16H24O
MW:232.361165046692
CID:966991
PubChem ID:6441117
Update Time:2025-04-19

9,13-dimethyltetradeca-1,6,8,12-tetraen-5-one Chemical and Physical Properties

Names and Identifiers

    • 9,13-dimethyltetradeca-1,6,8,12-tetraen-5-one
    • (6E,8E)-9,13-dimethyltetradeca-1,6,8,12-tetraen-5-one
    • 1,6,8,12-Tetradecatetraen-5-one, 9,13-dimethyl-
    • 9,13-Dimethyl-1,6,8,12-tetradecentetraene-5-one
    • DTXSID9070585
    • EINECS 267-069-9
    • 67785-75-5
    • NS00036174
    • 9,13-Dimethyl-1,6,8,12-tetradecatetraen-5-one
    • 3TQ9DG5UM9
    • Inchi: 1S/C16H24O/c1-5-6-12-16(17)13-8-11-15(4)10-7-9-14(2)3/h5,8-9,11,13H,1,6-7,10,12H2,2-4H3/b13-8+,15-11+
    • InChI Key: ZKCRJFSZWKAJGA-ZSDFXZAOSA-N
    • SMILES: O=C(/C=C/C=C(\C)/CC/C=C(\C)/C)CCC=C

Computed Properties

  • Exact Mass: 232.18282
  • Monoisotopic Mass: 232.182715
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 8
  • Complexity: 325
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 17.1
  • XLogP3: 4.9

Experimental Properties

  • Density: 0.875
  • Boiling Point: 340.9°C at 760 mmHg
  • Flash Point: 152.3°C
  • Refractive Index: 1.483
  • PSA: 17.07
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