4'-Methoxychalcone
[CAS# 959-23-9]

Identification

• Classification: Biochemical >> Plant extracts
• Name: 4'-Methoxychalcone
• Synonyms: (E)-1-(4-Methoxyphenyl)-3-Phenylprop-2-En-1-One; (E)-1-(4-Methoxyphenyl)-3-Phenyl-Prop-2-En-1-One; 1-(4-Methoxyphenyl)-3-Phenyl-Prop-2-En-1-One
• Molecular Formula: C₁₆H₁₄O₂
• Molecular Weight: 238.29
• CAS Registry Number: 959-23-9
• EINECS: 213-495-5
• SMILES: C1=CC(=CC=C1C(\C=C\C2=CC=CC=C2)=O)OC
• InChI: 1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+
• InChIKey: KJHHAPASNNVTSN-KPKJPENVSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 101-103°C (Expl.)
• Boiling point: 397.5±42.0°C at 760 mmHg (Cal.)
• Flash point: 180.5±21.4°C (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): Cutler et al.. A Predictive Model for Drug Bioaccumulation and Bioactivity in Caenorhabditis elegans, Nature Chemical Biology, 2010