Cas no 5435-11-0 (1,2-Ethanediol,1,2-diethoxy-, 1,2-dibenzoate)

1,2-Ethanediol,1,2-diethoxy-, 1,2-dibenzoate structure
5435-11-0 structure
Product Name:1,2-Ethanediol,1,2-diethoxy-, 1,2-dibenzoate
CAS No:5435-11-0
MF:C20H22O6
MW:358.385086536407
CID:386055
PubChem ID:225605
Update Time:2025-04-19

1,2-Ethanediol,1,2-diethoxy-, 1,2-dibenzoate Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediol,1,2-diethoxy-, 1,2-dibenzoate
    • (2-benzoyloxy-1,2-diethoxyethyl) benzoate
    • 1,2-diacetyl-1,2-dihydro-pyridazine-3,6-dione
    • 1,2-Diacetyl-perhydropyridazindion-3,6
    • 1,2-Diacetyl-pyridazodion-(3.6)
    • 1,2-Diacetyl-tetrahydro-pyridazin-3,6-dion
    • 1,2-diacetyl-tetrahydro-pyridazine-3,6-dione
    • 1,2-Diaethoxy-1,2-bis-benzoyloxy-aethan
    • 1,2-diethoxy-1,2-bis-benzoyloxy-ethane
    • 3,6-Pyridazinedione, 1,2-diacetyl-1,2-dihydro-
    • CTK0D9999
    • 5435-11-0
    • NSC15178
    • (2-benzoyloxy-1,2-diethoxyethyl)benzoate
    • NSC-15178
    • DTXSID30969439
    • 1,2-diethoxyethane-1,2-diyl dibenzoate
    • Inchi: 1S/C20H22O6/c1-3-23-19(25-17(21)15-11-7-5-8-12-15)20(24-4-2)26-18(22)16-13-9-6-10-14-16/h5-14,19-20H,3-4H2,1-2H3
    • InChI Key: NCZHAMBHWVRCFN-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(OC(C1C=CC=CC=1)=O)OCC)OC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 358.14166
  • Monoisotopic Mass: 358.142
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 11
  • Complexity: 386
  • 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: 4.1
  • Topological Polar Surface Area: 71.1?2

Experimental Properties

  • Density: 1.172
  • Boiling Point: 475.6°Cat760mmHg
  • Flash Point: 207.1°C
  • Refractive Index: 1.54
  • PSA: 71.06
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