Undecanoic Acid, 1,1',1''-(1,2,3-Propanetriyl) Ester
[CAS# 13552-80-2]

Identification

• Classification: Chemical reagent >> Organic reagent >> Ester >> Other ester compounds
• Name: Undecanoic Acid, 1,1',1''-(1,2,3-Propanetriyl) Ester
• Synonyms: [2-Undecanoyloxy-1-(Undecanoyloxymethyl)Ethyl] Undecanoate; Undecanoic Acid [2-(1-Oxoundecoxy)-1-(1-Oxoundecoxymethyl)Ethyl] Ester; Undecanoic Acid [2-Undecanoyloxy-1-(Undecanoyloxymethyl)Ethyl] Ester
• Molecular Formula: C₃₆H₆₈O₆
• Molecular Weight: 596.93
• CAS Registry Number: 13552-80-2
• EINECS: 236-935-8
• SMILES: C(C(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCC)=O)OC(CCCCCCCCCC)=O
• InChI: 1S/C36H68O6/c1-4-7-10-13-16-19-22-25-28-34(37)40-31-33(42-36(39)30-27-24-21-18-15-12-9-6-3)32-41-35(38)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3
• InChIKey: MBXVIRZWSHICAV-UHFFFAOYSA-N

Properties

• Density: 0.942g/cm³ (Cal.)
• Melting point: 24-32°C (Expl.)
• Boiling point: 611.602°C at 760 mmHg (Cal.)
• Flash point: 243.831°C (Cal.)