Cas no 18456-80-9 (1,3-Cyclohexanedione, 4-ethyl-)

1,3-Cyclohexanedione, 4-ethyl- structure
18456-80-9 structure
Product Name:1,3-Cyclohexanedione, 4-ethyl-
CAS No:18456-80-9
MF:C8H12O2
MW:140.179682731628
CID:1378370
Update Time:2024-08-16

1,3-Cyclohexanedione, 4-ethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Cyclohexanedione, 4-ethyl-
    • Inchi： 1S/C8H12O2/c1-2-6-3-4-7(9)5-8(6)10/h6H,2-5H2,1H3
    • InChI Key： IDESFDLCRXUSGK-UHFFFAOYSA-N
    • SMILES： C1(=O)CCC(CC)C(=O)C1

Computed Properties

  • Exact Mass: 140.08376

Experimental Properties

  • Density: 1.023±0.06 g/cm3(Predicted)
  • Melting Point: 109 °C
  • Boiling Point: 251.4±23.0 °C(Predicted)
  • PSA: 34.14
  • pka: 5.30±0.40(Predicted)

1,3-Cyclohexanedione, 4-ethyl- Related Literature

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