3-(3,4-Dihydroxyphenyl)-(2E)-2-Propenoic Acid
[CAS 501-16-6]

Identification

• Classification: Analytical chemistry >> Analytical reagent >> Ion chromatography reagent
• Name: 3-(3,4-Dihydroxyphenyl)-(2E)-2-Propenoic Acid
• Synonyms: 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid; (E)-3-(3,4-Dihydroxyphenyl)Acrylic Acid; 3-(3,4-Dihydroxyphenyl)Acrylic Acid
• Molecular Formula: C₉H₈O₄
• Molecular Weight: 180.16
• CAS Registry Number: 501-16-6
• SMILES: C1=C(C=CC(=C1O)O)\C=C\C(O)=O
• InChI: 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
• InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 220°C (Expl.)
• Boiling point: 416.8±35.0°C at 760 mmHg (Cal.)
• Flash point: 220.0±22.4°C (Cal.)
• solubility: ethanol: 50 mg/mL

Safety Data

• Safety Code: S26;S36/37
• Risk Code: R36/37/38;R40
• Hazard Symbol: X
• Safety Description: Safety glasses, gloves, good ventilation.

References

• (1): Syed G. A. Moinuddin, Michaël JourdesBoth contributed equally to the work, with S. G. A. Moinuddin completing all the synthetic chemistry., Dhrubojyoti D. Laskar, Chanyoung Ki, Claudia L. Cardenas, Kye-Won Kim, Dianzhong Zhang, Laurence B. Davin and Norman G. Lewis. Insights into lignin primary structure and deconstruction from Arabidopsis thaliana COMT (caffeic acid O-methyl transferase) mutant Atomt1, Org. Biomol. Chem., 2010, 8, 3928.