Cas no 16165-66-5 (Diethyl Hexylphosphonate)

Diethyl Hexylphosphonate structure
Diethyl Hexylphosphonate structure
Product Name:Diethyl Hexylphosphonate
CAS No:16165-66-5
MF:C10H23O3P
MW:222.26158452034
CID:180050
PubChem ID:85311
Update Time:2025-04-19

Diethyl Hexylphosphonate Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid,P-hexyl-, diethyl ester
    • 1-diethoxyphosphorylhexane
    • hexylphosphonic acid diethyl ester
    • AI3-18566
    • BRN 1771540
    • Diethyl hexylphosphonate
    • PAE(sub 6)
    • Phosphonic acid, hexyl-, diethyl ester
    • 4-04-00-03560 (Beilstein Handbook Reference)
    • AKOS017343265
    • 16165-66-5
    • Phosphonic acid, P-hexyl-, diethyl ester
    • SCHEMBL2150291
    • VVUJWLDQIIFQHI-UHFFFAOYSA-N
    • Diethyl (1-hexyl)phosphonate
    • Hexane phosphonic acid diethyl ester
    • MFCD00015140
    • DTXSID60167209
    • hexyl-phosphonic acid diethyl ester
    • Diethyl Hexylphosphonate
    • Inchi： 1S/C10H23O3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h4-10H2,1-3H3
    • InChI Key： VVUJWLDQIIFQHI-UHFFFAOYSA-N
    • SMILES： P(CCCCCC)(=O)(OCC)OCC

Computed Properties

  • Exact Mass: 222.13859
  • Monoisotopic Mass: 222.13848159g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 9
  • Complexity: 161
  • 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: 2.5
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Density: 1.0410 (rough estimate)
  • Refractive Index: 1.4820 (estimate)
  • PSA: 35.53

Diethyl Hexylphosphonate Pricemore >>

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