Cas no 682-49-5 (Phosphoric acid,tridodecyl ester)

Phosphoric acid,tridodecyl ester structure
682-49-5 structure
Product Name:Phosphoric acid,tridodecyl ester
CAS No:682-49-5
MF:C36H75O4P
MW:602.952073335648
CID:516434
PubChem ID:69630
Update Time:2025-04-19

Phosphoric acid,tridodecyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphoric acid,tridodecyl ester
    • tridodecyl phosphate
    • TRILAURYL PHOSPHATE
    • DTXSID60867696
    • Q27257831
    • SCHEMBL65137
    • EINECS 211-665-3
    • 682-49-5
    • 3OZX5BRS1N
    • FT-0700070
    • NS00014179
    • UNII-3OZX5BRS1N
    • Phosphoric acid, tridodecyl ester
    • TRILAURYL PHOSPHATE [INCI]
    • EINECS 271-870-9
    • DODECYL PHOSPHATE ((C12H25O)3PO)
    • Inchi: 1S/C36H75O4P/c1-4-7-10-13-16-19-22-25-28-31-34-38-41(37,39-35-32-29-26-23-20-17-14-11-8-5-2)40-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
    • InChI Key: OHRVKCZTBPSUIK-UHFFFAOYSA-N
    • SMILES: P(=O)(OCCCCCCCCCCCC)(OCCCCCCCCCCCC)OCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 602.54
  • Monoisotopic Mass: 602.54
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 36
  • Complexity: 456
  • 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
  • Topological Polar Surface Area: 44.8A^2
  • XLogP3: 16.3

Experimental Properties

  • Density: 0.905
  • Boiling Point: 522.2°Cat760mmHg
  • Flash Point: 282.6°C
  • Refractive Index: n20/D 1.461(lit.)
  • PSA: 54.57000
  • LogP: 13.90700
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