tris(2,4-di-tert-butylphenyl) phosphite

• ChemBase ID: 147925
• Molecular Formular: C42H63O3P
• Molecular Mass: 646.921581
• Monoisotopic Mass: 646.45148251
• SMILES: CC(C)(C)c1ccc(c(c1)C(C)(C)C)OP(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C
• Canonical SMILES: CC(c1cc(ccc1OP(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
• InChI: InChI=1S/C42H63O3P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3
• InChIKey: JKIJEFPNVSHHEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2,4-di-tert-butylphenyl) phosphite
• IUPAC Traditional name: tris(2,4-di-tert-butylphenyl) phosphite
• Synonyms: Tris(2,4-di-tert-butylphenyl) phosphite; Tris(2,4-di-tert-butylphenyl) phosphite; 三(2,4-二叔丁基苯基)亚磷酸酯

Database IDs

• CAS Number: 31570-04-4
• EC Number: 250-709-6
• MDL Number: MFCD00072706
• PubChem SID: 162242106; 24867703
• PubChem CID: 91601

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 15.7142
• LogD (pH = 7.4): 15.7142
• Log P: 15.7142
• Molar Refractivity: 199.3049 cm^3
• Polarizability: 78.05023 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 181-184 °C(lit.)

Safety Information

• German water hazard class: nwg
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 98%
• Linear Formula: [[(CH3)3C]2C6H3O]3P

DETAILS

Sigma Aldrich - 441791

Application
Processing stabilizer for polymers
Packaging
100, 500 g in poly bottle