Cas no 864-56-2 (Phenol,4-(1,1-dimethylpropyl)-, 1,1',1''-phosphite)

Phenol,4-(1,1-dimethylpropyl)-, 1,1',1''-phosphite structure
864-56-2 structure
Product Name:Phenol,4-(1,1-dimethylpropyl)-, 1,1',1''-phosphite
CAS No:864-56-2
MF:C33H45O3P
MW:520.682370901108
CID:722964
PubChem ID:70074
Update Time:2025-04-19

Phenol,4-(1,1-dimethylpropyl)-, 1,1',1''-phosphite Chemical and Physical Properties

Names and Identifiers

    • Phenol,4-(1,1-dimethylpropyl)-, 1,1',1''-phosphite
    • tris(p-tert-pentylphenyl) phosphite
    • Tris(p-tert-amylphenyl)phosphite
    • 864-56-2
    • DTXSID601006803
    • Phenol, 4-(1,1-dimethylpropyl)-, 1,1',1''-phosphite
    • tris-(p-tert-Pentylphenyl)phosphite
    • EINECS 212-731-4
    • NS00042535
    • tris[4-(2-methylbutan-2-yl)phenyl] phosphite
    • SCHEMBL561194
    • Tris(p-tert-amylphenyl) phosphite
    • Phenol, 4-(1,1-dimethylpropyl)-, phosphite (3:1)
    • Inchi: 1S/C33H45O3P/c1-10-31(4,5)25-13-19-28(20-14-25)34-37(35-29-21-15-26(16-22-29)32(6,7)11-2)36-30-23-17-27(18-24-30)33(8,9)12-3/h13-24H,10-12H2,1-9H3
    • InChI Key: XGYJGDTVZLADOZ-UHFFFAOYSA-N
    • SMILES: P(OC1C=CC(=CC=1)C(C)(C)CC)(OC1C=CC(=CC=1)C(C)(C)CC)OC1C=CC(=CC=1)C(C)(C)CC

Computed Properties

  • Exact Mass: 520.311
  • Monoisotopic Mass: 520.311
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 12
  • Complexity: 560
  • 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: 27.7A^2
  • XLogP3: 12.2

Experimental Properties

  • Boiling Point: 536.7°C at 760 mmHg
  • Flash Point: 349°C
  • PSA: 41.28000
  • LogP: 10.51310
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