(2E)-4-(4-Ethoxyphenyl)-4-Oxo-2-Butenoic Acid
[CAS# 29582-31-8]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Aromatic cinnamic acid, esters and derivatives
• Name: (2E)-4-(4-Ethoxyphenyl)-4-Oxo-2-Butenoic Acid
• Synonyms: (E)-4-(4-Ethoxyphenyl)-4-Oxo-But-2-Enoate; (E)-4-(4-Ethoxyphenyl)-4-Keto-But-2-Enoate; Zinc00129057
• Molecular Formula: C₁₂H₁₁O₄
• Molecular Weight: 219.22
• CAS Registry Number: 29582-31-8
• SMILES: C1=C(OCC)C=CC(=C1)C(=O)\C=C\C([O-])=O
• InChI: 1S/C12H12O4/c1-2-16-10-5-3-9(4-6-10)11(13)7-8-12(14)15/h3-8H,2H2,1H3,(H,14,15)/p-1/b8-7+
• InChIKey: WKIKNOMECIZQHQ-BQYQJAHWSA-M

Properties

• Boiling point: 398.221°C at 760 mmHg (Cal.)
• Flash point: 155.187°C (Cal.)