3-[(E)-3-Phenylprop-2-Enoyl]Oxybutan-2-Yl Nonanoate
[CAS# 84006-31-5]

Identification

• Name: 3-[(E)-3-Phenylprop-2-Enoyl]Oxybutan-2-Yl Nonanoate
• Synonyms: [1-Methyl-2-[(E)-3-Phenylprop-2-Enoyl]Oxy-Propyl] Nonanoate; Nonanoic Acid [1-Methyl-2-[(E)-1-Oxo-3-Phenylprop-2-Enoxy]Propyl] Ester; Pelargonic Acid [1-Methyl-2-[(E)-3-Phenylacryloyl]Oxy-Propyl] Ester
• Molecular Formula: C₂₂H₃₂O₄
• Molecular Weight: 360.49
• CAS Registry Number: 84006-31-5
• SMILES: C1=CC=CC=C1/C=C/C(OC(C(OC(CCCCCCCC)=O)C)C)=O
• InChI: 1S/C22H32O4/c1-4-5-6-7-8-12-15-21(23)25-18(2)19(3)26-22(24)17-16-20-13-10-9-11-14-20/h9-11,13-14,16-19H,4-8,12,15H2,1-3H3/b17-16+
• InChIKey: ZSKXDYWGVRISOZ-WUKNDPDISA-N

Properties

• Density: 1.022g/cm³ (Cal.)
• Boiling point: 471.056°C at 760 mmHg (Cal.)
• Flash point: 228.067°C (Cal.)