2,2-Bis[[(1-Oxononyl)Oxy]Methyl]Propane-1,3-Diyl Dinonan-1-Oate
[CAS# 14450-05-6]

Identification

• Name: 2,2-Bis[[(1-Oxononyl)Oxy]Methyl]Propane-1,3-Diyl Dinonan-1-Oate
• Synonyms: Nonanoic Acid [3-(1-Oxononoxy)-2,2-Bis(1-Oxononoxymethyl)Propyl] Ester; Pelargonic Acid [3-Pelargonyloxy-2,2-Bis(Pelargonyloxymethyl)Propyl] Ester; Pentaerythrityl Tetrapelargonate
• Molecular Formula: C₄₁H₇₆O₈
• Molecular Weight: 697.05
• CAS Registry Number: 14450-05-6
• EINECS: 238-430-8
• SMILES: C(C(OCC(COC(CCCCCCCC)=O)(COC(CCCCCCCC)=O)COC(CCCCCCCC)=O)=O)CCCCCCC
• InChI: 1S/C41H76O8/c1-5-9-13-17-21-25-29-37(42)46-33-41(34-47-38(43)30-26-22-18-14-10-6-2,35-48-39(44)31-27-23-19-15-11-7-3)36-49-40(45)32-28-24-20-16-12-8-4/h5-36H2,1-4H3
• InChIKey: IBKKMFMBXQARGV-UHFFFAOYSA-N

Properties

• Density: 0.969g/cm³ (Cal.)
• Boiling point: 699.097°C at 760 mmHg (Cal.)
• Flash point: 273.562°C (Cal.)