Cas no 814-22-2 (Phosphoric acid,diethyl propyl ester)

Phosphoric acid,diethyl propyl ester structure
814-22-2 structure
Product Name:Phosphoric acid,diethyl propyl ester
CAS No:814-22-2
MF:C7H17O4P
MW:196.181243658066
CID:726540
PubChem ID:69943
Update Time:2025-04-19

Phosphoric acid,diethyl propyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphoric acid,diethyl propyl ester
    • 1-diethoxyphosphoryloxypropane
    • diethyl propyl phosphate
    • 1-01-00-00179 (Beilstein Handbook Reference)
    • SCHEMBL575634
    • DTXSID00231079
    • BRN 1706424
    • Phosphoric acid, diethyl propyl ester
    • Ethyl propyl phosphate
    • 814-22-2
    • Inchi: 1S/C7H17O4P/c1-4-7-11-12(8,9-5-2)10-6-3/h4-7H2,1-3H3
    • InChI Key: IHPUVAUZMHQZSK-UHFFFAOYSA-N
    • SMILES: P(=O)(OCC)(OCC)OCCC

Computed Properties

  • Exact Mass: 196.086
  • Monoisotopic Mass: 196.086
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 138
  • 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: 0.8
  • Topological Polar Surface Area: 44.8A^2

Experimental Properties

  • Density: 1.047
  • Boiling Point: 230.6°C at 760 mmHg
  • Flash Point: 107.4°C
  • Refractive Index: 1.411
  • PSA: 54.57000
  • LogP: 2.59410
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