Cas no 7464-02-0 ( )

  structure
  structure
Product Name: 
CAS No:7464-02-0
MF:C14H24O4
MW:256.337965011597
CID:979598
PubChem ID:345625
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • ethyl 2,5,8-trimethyl-4,7-dioxononanoate
    • DTXSID20323203
    • NSC-403335
    • 7464-02-0
    • NSC403335
    •  
    • Inchi： 1S/C14H24O4/c1-6-18-14(17)11(5)8-13(16)10(4)7-12(15)9(2)3/h9-11H,6-8H2,1-5H3
    • InChI Key： LIBLEDORGXGVCB-UHFFFAOYSA-N
    • SMILES： O=C(CC(C(=O)OCC)C)C(C)CC(C(C)C)=O

Computed Properties

  • Exact Mass: 256.16752
  • Monoisotopic Mass: 256.167
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 9
  • Complexity: 307
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 60.4?2

Experimental Properties

  • Density: 0.991
  • Boiling Point: 354.6°C at 760 mmHg
  • Flash Point: 152.8°C
  • Refractive Index: 1.443
  • PSA: 60.44
  • LogP: 2.39610

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