Pentaerythritol oleate
[CAS 12772-47-3]

Identification

• Name: Pentaerythritol oleate
• Synonyms: 2,2-Dimethylolpropane-1,3-Diol; (Z)-Octadec-9-Enoic Acid; Pentaerythritol Oleate; 9-Octadecenoic Acid (9Z)-, Ester With 2,2-Bis(Hydroxymethyl)-1,3-Propanediol
• Molecular Formula: C₂₃H₄₆O₆
• Molecular Weight: 418.61
• CAS Registry Number: 12772-47-3
• EINECS: 235-816-8
• SMILES: C(O)C(CO)(CO)CO.C(C(=O)O)CCCCCC\C=C/CCCCCCCC
• InChI: 1S/C18H34O2.C5H12O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-1-5(2-7,3-8)4-9/h9-10H,2-8,11-17H2,1H3,(H,19,20);6-9H,1-4H2/b10-9-
• InChIKey: ARWLNYJOVMFZNY-KVVVOXFISA-N

Properties

• Boiling point: 360°C at 760 mmHg (Cal.)
• Flash point: 270.1°C (Cal.)