Cas no 96-01-5 (1,2-Cyclodecanedione)

1,2-Cyclodecanedione structure
1,2-Cyclodecanedione structure
Product Name:1,2-Cyclodecanedione
CAS No:96-01-5
MF:C10H16O2
MW:168.232843399048
CID:810391
PubChem ID:96839
Update Time:2025-04-19

1,2-Cyclodecanedione Chemical and Physical Properties

Names and Identifiers

    • 1,2-Cyclodecanedione
    • cyclodecanedione
    • HLPUHEJQIIHQDF-UHFFFAOYSA-N
    • 61P59MCH0P
    • NSC 90292
    • DTXSID00242064
    • NSC90292
    • SCHEMBL482626
    • 96-01-5
    • FT-0658582
    • Q27263367
    • A845530
    • SEBACIL [MI]
    • AM20120383
    • NSC-90292
    • cyclodecane-1,2-quinone
    • cyclodecane-1,2-dione
    • UNII-61P59MCH0P
    • AKOS022505064
    • Sebacil
    • Inchi: 1S/C10H16O2/c11-9-7-5-3-1-2-4-6-8-10(9)12/h1-8H2
    • InChI Key: HLPUHEJQIIHQDF-UHFFFAOYSA-N
    • SMILES: O=C1C(CCCCCCCC1)=O

Computed Properties

  • Exact Mass: 168.115
  • Monoisotopic Mass: 168.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 153
  • 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
  • XLogP3: 2.1
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • Density: 0.9812 (rough estimate)
  • Melting Point: 40-41°
  • Boiling Point: bp18 120-125°; bp10 104-105°
  • Flash Point: 106.2°C
  • Refractive Index: 1.4578 (estimate)
  • PSA: 34.14000
  • LogP: 2.25900
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