Cas no 4971-46-4 (Phosphoric acid,bis(2-ethylhexyl) ester, potassium salt (1:1))

Phosphoric acid,bis(2-ethylhexyl) ester, potassium salt (1:1) structure
4971-46-4 structure
Product Name:Phosphoric acid,bis(2-ethylhexyl) ester, potassium salt (1:1)
CAS No:4971-46-4
MF:C16H34KO4P
MW:360.510827541351
CID:331209
PubChem ID:23675922
Update Time:2025-04-19

Phosphoric acid,bis(2-ethylhexyl) ester, potassium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Phosphoric acid,bis(2-ethylhexyl) ester, potassium salt (1:1)
    • potassium,bis(2-ethylhexyl) phosphate
    • Diphosphate ester of 2-ethyl hexanol, potassium salt
    • phosphoric acid, bis(2-ethylhexyl) ester, potassiumsalt
    • Potassium bis(2-ethylhexyl phosphate
    • 4971-46-4
    • Potassium bis(2-ethylhexyl) phosphate
    • potassium bis(2-ethylhexyl) phosphate salt
    • potassium di(2-ethylhexyl) phosphate
    • EINECS 225-614-8
    • SCHEMBL4873531
    • VDWRBVKXEXWMIT-UHFFFAOYSA-M
    • DTXSID60884121
    • Potassium bis(2-ethylhexyl)phosphate
    • NS00081653
    • Phosphoric acid, bis(2-ethylhexyl) ester, potassium salt (1:1)
    • Phosphoric acid, bis(2-ethylhexyl) ester, potassium salt
    • Phosphoric acid,bis(2-ethylhexyl)ester,potassium salt
    • Diphosphate ester of 2-ethyl hexanol,potassium salt
    • Inchi: 1S/C16H35O4P.K/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,17,18);/q;+1/p-1
    • InChI Key: VDWRBVKXEXWMIT-UHFFFAOYSA-M
    • SMILES: [K+].P(=O)([O-])(OCC(CC)CCCC)OCC(CC)CCCC

Computed Properties

  • Exact Mass: 360.183
  • Monoisotopic Mass: 360.183
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 14
  • Complexity: 265
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 58.6A^2

Experimental Properties

  • Density: 0.983
  • Melting Point: -50 deg C
  • Boiling Point: 393.4°Cat760mmHg
  • Flash Point: 191.7°C
  • PSA: 68.40000
  • LogP: 5.99100
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