Cas no 28777-70-0 (Phenol,(1,1-dimethylethyl)-, 1,1',1''-phosphate)

Phenol,(1,1-dimethylethyl)-, 1,1',1''-phosphate structure
28777-70-0 structure
Product Name:Phenol,(1,1-dimethylethyl)-, 1,1',1''-phosphate
CAS No:28777-70-0
MF:C30H39O4P
MW:494.602030038834
CID:271393
PubChem ID:3034371
Update Time:2025-04-19

Phenol,(1,1-dimethylethyl)-, 1,1',1''-phosphate Chemical and Physical Properties

Names and Identifiers

    • Phenol,(1,1-dimethylethyl)-, 1,1',1''-phosphate
    • tris(2-tert-butylphenyl) phosphate
    • AC1MHXEK
    • EINECS 249-209-0
    • Mil-H-19457C
    • NSC 68205
    • Phenol, (1,1-dimethylethyl)-, phosphate (3:1)
    • Phosphoric acid, tris(tert-butylphenyl) ester
    • SureCN190944
    • Tri(tert-butylphenyl) phosphate
    • Tris(tert-butylphenyl) phosphate
    • Phenol, (1,1-dimethylethyl)-, phosphate
    • SCHEMBL190944
    • DTXSID801036414
    • 28777-70-0
    • 261948-87-2
    • Tris(2-(tert-butyl)phenyl) phosphate
    • NS00047503
    • FT-0699686
    • tri(t-butylphenyl) phosphate
    • Inchi: 1S/C30H39O4P/c1-28(2,3)22-16-10-13-19-25(22)32-35(31,33-26-20-14-11-17-23(26)29(4,5)6)34-27-21-15-12-18-24(27)30(7,8)9/h10-21H,1-9H3
    • InChI Key: SPUXJWDKFVXXBI-UHFFFAOYSA-N
    • SMILES: P(=O)(OC1C=CC=CC=1C(C)(C)C)(OC1C=CC=CC=1C(C)(C)C)OC1C=CC=CC=1C(C)(C)C

Computed Properties

  • Exact Mass: 494.25877
  • Monoisotopic Mass: 494.25859672g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 9
  • Complexity: 618
  • 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: 10
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • PSA: 44.76
  • LogP: 9.22400
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