(2E)-3-(3,4-Dimethoxyphenyl)-1-Phenyl-2-Propen-1-One
[CAS# 53744-28-8]

Identification

• Name: (2E)-3-(3,4-Dimethoxyphenyl)-1-Phenyl-2-Propen-1-One
• Synonyms: 2-(3,4-Dimethoxybenzylidene)acetophenone; 3-(3,4-dimethoxyphenyl)-1-phenylprop-2-en-1-one; 3-(3,4-Dimethoxy-phenyl)-1-phenyl-propenone
• Molecular Formula: C₁₇H₁₆O₃
• Molecular Weight: 268.31
• CAS Registry Number: 53744-28-8
• SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)OC
• InChI: 1S/C17H16O3/c1-19-16-11-9-13(12-17(16)20-2)8-10-15(18)14-6-4-3-5-7-14/h3-12H,1-2H3/b10-8+
• InChIKey: LSHZPTCZLWATBZ-CSKARUKUSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 88-89°C (Expl.)
• Boiling point: 421.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 200.7±15.1°C (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract

References

• (1): V. Shettigar, J. B.-J. Teh, H.-K. Fun, I. A. Razak, P. S. Patil and S. M. Dharmaprakash. 3,4-Dimethoxychalcone, Acta Cryst. (2006). E62, o4646-o4647