2,2-Bis[[(1-Oxoisohexadecyl)Oxy]Methyl]-1,3-Propanediyl Diisohexadecanoate
[CAS# 68957-81-3]

Identification

• Name: 2,2-Bis[[(1-Oxoisohexadecyl)Oxy]Methyl]-1,3-Propanediyl Diisohexadecanoate
• Synonyms: 14-Methylpentadecanoic Acid [3-(14-Methyl-1-Oxopentadecoxy)-2,2-Bis[(14-Methyl-1-Oxopentadecoxy)Methyl]Propyl] Ester; 14-Methylpentadecanoic Acid [3-(14-Methylpentadecanoyloxy)-2,2-Bis(14-Methylpentadecanoyloxymethyl)Propyl] Ester; Isopalmitic Acid, Pentaerythritol Tetraester
• Molecular Formula: C₆₉H₁₃₂O₈
• Molecular Weight: 1089.80
• CAS Registry Number: 68957-81-3
• EINECS: 273-366-4
• SMILES: C(C(OCC(COC(CCCCCCCCCCCCC(C)C)=O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C)=O)CCCCCCCCCCCC(C)C
• InChI: 1S/C69H132O8/c1-61(2)49-41-33-25-17-9-13-21-29-37-45-53-65(70)74-57-69(58-75-66(71)54-46-38-30-22-14-10-18-26-34-42-50-62(3)4,59-76-67(72)55-47-39-31-23-15-11-19-27-35-43-51-63(5)6)60-77-68(73)56-48-40-32-24-16-12-20-28-36-44-52-64(7)8/h61-64H,9-60H2,1-8H3
• InChIKey: SBSKDQAYPPMLKA-UHFFFAOYSA-N

Properties

• Density: 0.921g/cm³ (Cal.)
• Boiling point: 930.343°C at 760 mmHg (Cal.)
• Flash point: 327.799°C (Cal.)