3-(2-Ethoxyphenyl)-2-Propenoic Acid
[CAS# 69038-81-9]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Aromatic cinnamic acid, esters and derivatives
• Name: 3-(2-Ethoxyphenyl)-2-Propenoic Acid
• Synonyms: (E)-3-(2-Ethoxyphenyl)Prop-2-Enoic Acid; 3-(2-Ethoxyphenyl)Acrylic Acid; (E)-3-(2-Ethoxyphenyl)Acrylic Acid
• Molecular Formula: C₁₁H₁₂O₃
• Molecular Weight: 192.21
• CAS Registry Number: 69038-81-9
• SMILES: C1=CC=CC(=C1\C=C\C(O)=O)OCC
• InChI: 1S/C11H12O3/c1-2-14-10-6-4-3-5-9(10)7-8-11(12)13/h3-8H,2H2,1H3,(H,12,13)/b8-7+
• InChIKey: UXTDCJJEJZCEBF-BQYQJAHWSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 134-136°C (Expl.)
• Boiling point: 337.2±17.0°C at 760 mmHg (Cal.)
• Flash point: 131.7±14.4°C (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT

References

• (1): M. A. Fernandes, D. C. Levendis and F. R. L. Schoening. A new polymorph of ortho-ethoxy-trans-cinnamic acid: single-to-single-crystal phase transformation and mechanism, Acta Cryst. (2004). B60, 300-314