2,6-Dibenzylidenecyclohexanone
[CAS# 897-78-9]

Identification

• Classification: Chemical reagent >> Organic reagent >> Aromatic ketone
• Name: 2,6-Dibenzylidenecyclohexanone
• Synonyms: 2,6-Bis(Phenylmethylidene)Cyclohexan-1-One; (6E)-2,6-Bis(Phenylmethylidene)Cyclohexan-1-One; (2E,6E)-2,6-Bis(Phenylmethylene)Cyclohexan-1-One
• Molecular Formula: C₂₀H₁₈O
• Molecular Weight: 274.36
• CAS Registry Number: 897-78-9
• EINECS: 212-981-4
• SMILES: C1=CC=CC=C1\C=C/3C(C(=C/C2=CC=CC=C2)/CCC3)=O
• InChI: 1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14+,19-15+
• InChIKey: CTKKGXDAWIAYSA-JSAVKQRWSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 117°C (Expl.)
• Boiling point: 469.3±45.0°C at 760 mmHg (Cal.)
• Flash point: 207.5±23.7°C (Cal.)

Safety Data

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

References

• (1): Kumar Biradha. Crystal engineering: from weak hydrogen bonds to co-ordination bonds, CrystEngComm, 2003, 5, 374.