Cas no 85222-97-5 (ammonium 2-ethylhexyl hydrogen phosphate)

ammonium 2-ethylhexyl hydrogen phosphate structure
85222-97-5 structure
Product Name:ammonium 2-ethylhexyl hydrogen phosphate
CAS No:85222-97-5
MF:C8H22NO4P
MW:227.238343715668
CID:889291
PubChem ID:16205598
Update Time:2025-04-19

ammonium 2-ethylhexyl hydrogen phosphate Chemical and Physical Properties

Names and Identifiers

    • ammonium 2-ethylhexyl hydrogen phosphate
    • azanium,2-ethylhexyl hydrogen phosphate
    • EINECS 286-349-1
    • NS00092328
    • 85222-97-5
    • NS00093211
    • Inchi: 1S/C8H19O4P.H3N/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);1H3
    • InChI Key: AUZYDJMRJRSCDX-UHFFFAOYSA-N
    • SMILES: P(=O)([O-])(O)OCC(CC)CCCC.[NH4+]

Computed Properties

  • Exact Mass: 227.128645
  • Monoisotopic Mass: 227.128645
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 163
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 70.6

Experimental Properties

  • Boiling Point: 372.6°C at 760 mmHg
  • Flash Point: 179.1°C
  • PSA: 79.81000
  • LogP: 2.63600
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