3-Hydroxy-2,2-Bis(Hydroxymethyl)Propyl Docosanoate
[CAS# 53161-46-9]

Identification

• Name: 3-Hydroxy-2,2-Bis(Hydroxymethyl)Propyl Docosanoate
• Synonyms: Docosanoic Acid [3-Hydroxy-2,2-Bis(Hydroxymethyl)Propyl] Ester; Behenic Acid (3-Hydroxy-2,2-Dimethylol-Propyl) Ester; 3-Hydroxy-2,2-Bis(Hydroxymethyl)Propyl Docosanoate
• Molecular Formula: C₂₇H₅₄O₅
• Molecular Weight: 458.72
• CAS Registry Number: 53161-46-9
• EINECS: 258-401-3
• SMILES: C(OC(=O)CCCCCCCCCCCCCCCCCCCCC)C(CO)(CO)CO
• InChI: 1S/C27H54O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(31)32-25-27(22-28,23-29)24-30/h28-30H,2-25H2,1H3
• InChIKey: ZKIVRAADAKTRIO-UHFFFAOYSA-N

Properties

• Density: 0.975g/cm³ (Cal.)
• Boiling point: 563.744°C at 760 mmHg (Cal.)
• Flash point: 170.457°C (Cal.)