2-Cinnamyl-2-Ethyl-Propanedioic Acid
[CAS# 4472-91-7]

Identification

• Name: 2-Cinnamyl-2-Ethyl-Propanedioic Acid
• Synonyms: 2-Ethyl-2-(3-Phenylprop-2-Enyl)Propanedioic Acid; 2-Ethyl-2-[(E)-3-Phenylprop-2-Enyl]Malonic Acid; 2-Ethyl-2-(3-Phenylprop-2-Enyl)Malonic Acid
• Molecular Formula: C₁₄H₁₆O₄
• Molecular Weight: 248.28
• CAS Registry Number: 4472-91-7
• SMILES: C1=CC=CC=C1\C=C\CC(C(O)=O)(C(O)=O)CC
• InChI: 1S/C14H16O4/c1-2-14(12(15)16,13(17)18)10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3,(H,15,16)(H,17,18)/b9-6+
• InChIKey: HEYXYLGBRHTQRD-RMKNXTFCSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 487.523°C at 760 mmHg (Cal.)
• Flash point: 262.748°C (Cal.)