Cas no 39864-15-8 (nonanediyl diacetate)

nonanediyl diacetate structure
nonanediyl diacetate structure
Product Name:nonanediyl diacetate
CAS No:39864-15-8
MF:C13H24O4
MW:244.327264785767
CID:924984
PubChem ID:162000
Update Time:2025-04-19

nonanediyl diacetate Chemical and Physical Properties

Names and Identifiers

    • nonanediyl diacetate
    • Jasmonyl
    • nonane-1,1-diyl diacetate
    • Nonanediol, diacetate
    • Nonanediol-1,3 acetate
    • 286454-43-1
    • 1-acetyloxynonyl acetate
    • 1,1-nonanediol, diacetate
    • AKOS040753305
    • 1,1-Nonanediol, 1,1-diacetate
    • 39864-15-8
    • 1-(ACETYLOXY)NONYL ACETATE
    • (2r,7s)-diacetoxynonane
    • DTXSID50966869
    • Nonanediol diacetate
    • 5244-88-2
    • ZALVGSSYVAPZDA-UHFFFAOYSA-N
    • A5X7XPJ83Z
    • SCHEMBL10903572
    • EINECS 254-661-7
    • NS00013035
    • Inchi: 1S/C13H24O4/c1-4-5-6-7-8-9-10-13(16-11(2)14)17-12(3)15/h13H,4-10H2,1-3H3
    • InChI Key: ZALVGSSYVAPZDA-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)C(CCCCCCCC)OC(C)=O

Computed Properties

  • Exact Mass: 244.16752
  • Monoisotopic Mass: 244.16745924g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 11
  • Complexity: 210
  • 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: 4.1
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 0.9902 (rough estimate)
  • Boiling Point: 307.25°C (rough estimate)
  • Refractive Index: 1.4351 (estimate)
  • PSA: 52.6
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