Cas no 56438-07-4 (1,1-Dodecanediol,1,1-diacetate)

1,1-Dodecanediol,1,1-diacetate structure
56438-07-4 structure
Product Name:1,1-Dodecanediol,1,1-diacetate
CAS No:56438-07-4
MF:C16H30O4
MW:286.407005786896
CID:380629
PubChem ID:41878
Update Time:2025-04-19

1,1-Dodecanediol,1,1-diacetate Chemical and Physical Properties

Names and Identifiers

    • 1,1-Dodecanediol,1,1-diacetate
    • 1,1-Diacetoxydodecane
    • 1-acetyloxydodecyl acetate
    • 1-(Acetyloxy)dodecyl acetate
    • 1,1-dodecanediol, diacetate
    • 56438-07-4
    • 1-(Acetyloxy)dodecyl acetate #
    • DTXSID90204994
    • 1,1-dodecanediol diacetate
    • CSDZNKPPSXTLHK-UHFFFAOYSA-N
    • Inchi: 1S/C16H30O4/c1-4-5-6-7-8-9-10-11-12-13-16(19-14(2)17)20-15(3)18/h16H,4-13H2,1-3H3
    • InChI Key: CSDZNKPPSXTLHK-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C(CCCCCCCCCCC)OC(C)=O

Computed Properties

  • Exact Mass: 286.2145
  • Monoisotopic Mass: 286.214
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 14
  • Complexity: 247
  • 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
  • Topological Polar Surface Area: 52.6A^2
  • XLogP3: 5.8

Experimental Properties

  • Density: 0.954
  • Boiling Point: 356.7°C at 760 mmHg
  • Flash Point: 165.2°C
  • Refractive Index: 1.443
  • PSA: 52.6
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