Pentaerythritol Dibehenate
[CAS# 68258-72-0]

Identification

• Name: Pentaerythritol Dibehenate
• Synonyms: Docosanoic Acid [2,2-Bis(Hydroxymethyl)-3-(1-Oxodocosoxy)Propyl] Ester; Behenic Acid [2-(Docosanoyloxymethyl)-3-Hydroxy-2-Methylol-Propyl] Ester
• Molecular Formula: C₄₉H₉₆O₆
• Molecular Weight: 781.29
• CAS Registry Number: 68258-72-0
• EINECS: 269-495-0
• SMILES: C(OC(=O)CCCCCCCCCCCCCCCCCCCCC)C(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(CO)CO
• InChI: 1S/C49H96O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(52)54-45-49(43-50,44-51)46-55-48(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h50-51H,3-46H2,1-2H3
• InChIKey: WIWNPEDDOAMGGM-UHFFFAOYSA-N

Properties

• Density: 0.931g/cm³ (Cal.)
• Boiling point: 756.889°C at 760 mmHg (Cal.)
• Flash point: 195.843°C (Cal.)