Pentaerythritol tetranicotinate
[CAS 5868-05-3]

Identification

• Name: Pentaerythritol tetranicotinate
• Synonyms: 3-Pyridinecarboxylic Acid [3-[Oxo-(3-Pyridyl)Methoxy]-2,2-Bis[[Oxo-(3-Pyridyl)Methoxy]Methyl]Propyl] Ester; Nicotinic Acid [3-(Pyridine-3-Carbonyloxy)-2,2-Bis(Pyridine-3-Carbonyloxymethyl)Propyl] Ester; [3-Pyridin-3-Ylcarbonyloxy-2,2-Bis(Pyridin-3-Ylcarbonyloxymethyl)Propyl] Pyridine-3-Carboxylate
• Molecular Formula: C₂₉H₂₄N₄O₈
• Molecular Weight: 556.53
• CAS Registry Number: 5868-05-3
• EINECS: 227-519-7
• SMILES: C1=CC=NC=C1C(OCC(COC(C2=CN=CC=C2)=O)(COC(C3=CN=CC=C3)=O)COC(C4=CN=CC=C4)=O)=O
• InChI: 1S/C29H24N4O8/c34-25(21-5-1-9-30-13-21)38-17-29(18-39-26(35)22-6-2-10-31-14-22,19-40-27(36)23-7-3-11-32-15-23)20-41-28(37)24-8-4-12-33-16-24/h1-16H,17-20H2
• InChIKey: KUEUWHJGRZKESU-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 746.7±60.0°C at 760 mmHg (Cal.)
• Flash point: 405.4±32.9°C (Cal.)