4-{2-[4-({bis[(8-methylnonyl)oxy]phosphanyl}oxy)phenyl]propan-2-yl}phenyl bis(8-methylnonyl) phosphite

• ChemBase ID: 136807
• Molecular Formular: C55H98O6P2
• Molecular Mass: 917.310542
• Monoisotopic Mass: 916.68386412
• SMILES: CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccc(cc1)C(C)(C)c1ccc(cc1)OP(OCCCCCCCC(C)C)OCCCCCCCC(C)C
• Canonical SMILES: CC(CCCCCCCOP(Oc1ccc(cc1)C(c1ccc(cc1)OP(OCCCCCCCC(C)C)OCCCCCCCC(C)C)(C)C)OCCCCCCCC(C)C)C
• InChI: InChI=1S/C55H98O6P2/c1-47(2)31-23-15-11-19-27-43-56-62(57-44-28-20-12-16-24-32-48(3)4)60-53-39-35-51(36-40-53)55(9,10)52-37-41-54(42-38-52)61-63(58-45-29-21-13-17-25-33-49(5)6)59-46-30-22-14-18-26-34-50(7)8/h35-42,47-50H,11-34,43-46H2,1-10H3
• InChIKey: NXWSPAKNTFSINP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[4-({bis[(8-methylnonyl)oxy]phosphanyl}oxy)phenyl]propan-2-yl}phenyl bis(8-methylnonyl) phosphite
• IUPAC Traditional name: 4-{2-[4-({bis[(8-methylnonyl)oxy]phosphanyl}oxy)phenyl]propan-2-yl}phenyl bis(8-methylnonyl) phosphite
• Synonyms: 4,4′-Isopropylidenebis(diisodecyl phenyl phosphite); U - 1-Heptene; 4,4'-异亚丙基二(二异癸基亚磷酸苯酯); 1-庚烯

Database IDs

• CAS Number: 592-76-7; 61670-79-9
• MDL Number: MFCD00274626
• PubChem SID: 162231076
• PubChem CID: 3085223

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 20.0506
• LogD (pH = 7.4): 20.0506
• Log P: 20.0506
• Molar Refractivity: 284.4147 cm^3
• Polarizability: 108.61595 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 42
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 336 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.964 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.498(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Linear Formula: [(C10H21O)2POC6H4]2C(CH3)2

DETAILS

Sigma Aldrich - 442267

Application
Low volatility heat stabilizer for PVC

Sigma Aldrich - 442267

Application
Low volatility heat stabilizer for PVC