Cas no 646450-33-1 (Phosphoric acid, 1-methylethyl dipropyl ester)

Phosphoric acid, 1-methylethyl dipropyl ester structure
646450-33-1 structure
Product Name:Phosphoric acid, 1-methylethyl dipropyl ester
CAS No:646450-33-1
MF:C9H21O4P
MW:224.234404325485
CID:420894
PubChem ID:71379384
Update Time:2025-04-19

Phosphoric acid, 1-methylethyl dipropyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphoric acid, 1-methylethyl dipropyl ester
    • propan-2-yl dipropyl phosphate
    • 646450-33-1
    • DTXSID80801956
    • Inchi: 1S/C9H21O4P/c1-5-7-11-14(10,12-8-6-2)13-9(3)4/h9H,5-8H2,1-4H3
    • InChI Key: KLXFKCHQRMYVCL-UHFFFAOYSA-N
    • SMILES: P(=O)(OCCC)(OCCC)OC(C)C

Computed Properties

  • Exact Mass: 224.11783
  • Monoisotopic Mass: 224.11774614g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 8
  • Complexity: 170
  • 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: 2.1
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • PSA: 44.76

Phosphoric acid, 1-methylethyl dipropyl ester Related Literature

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