2-Hydroxychalcone
[CAS# 42224-53-3]

Identification

• Name: 2-Hydroxychalcone
• Synonyms: 3-(2-Hydroxyphenyl)-1-Phenylprop-2-En-1-One; 3-(2-Hydroxyphenyl)-1-Phenyl-Prop-2-En-1-One; (E)-3-(2-Hydroxyphenyl)-1-Phenyl-Prop-2-En-1-One
• Molecular Formula: C₁₅H₁₂O₂
• Molecular Weight: 224.26
• CAS Registry Number: 42224-53-3
• SMILES: C1=CC=CC(=C1\C=C\C(C2=CC=CC=C2)=O)O
• InChI: 1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H/b11-10+
• InChIKey: UDOOPSJCRMKSGL-ZHACJKMWSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 154°C (Expl.)
• Boiling point: 396.3±34.0°C at 760 mmHg (Cal.)
• Flash point: 169.3±18.3°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): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370