4-Methoxycinnamic Acid Ethyl Ester
[CAS# 99880-64-5]

Identification

• Name: 4-Methoxycinnamic Acid Ethyl Ester
• Synonyms: Docosanoate; Docosanoic Acid 2,3-Dihydroxypropyl Ester; Behenate; Behenic Acid Glyceryl Ester; Docosanoic Acid, Diester With 1,2,3-Propanetriol
• Molecular Formula: C₄₇H₉₃O₆
• Molecular Weight: 754.25
• CAS Registry Number: 99880-64-5
• SMILES: C(CCCCCCCCCCC(OCC(O)CO)=O)CCCCCCCCCC.C(CCCCCCCCCCC([O-])=O)CCCCCCCCCC
• InChI: 1S/C25H50O4.C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h24,26-27H,2-23H2,1H3;2-21H2,1H3,(H,23,24)/p-1
• InChIKey: GMQZCEGWOKUDMX-UHFFFAOYSA-M

Properties

• Boiling point: 796.6°C at 760 mmHg (Cal.)
• Flash point: 212.4°C (Cal.)