1,9-Diphenyl-1,3,6,8-Nonatetraen-5-One
[CAS 622-21-9]

Identification

• Classification: Chemical reagent >> Organic reagent >> Fatty ketone (including enol)
• Name: 1,9-Diphenyl-1,3,6,8-Nonatetraen-5-One
• Synonyms: (1E,3E,6E,8E)-1,9-Di(Phenyl)Nona-1,3,6,8-Tetraen-5-One; (3E,6E,8E)-1,9-Di(Phenyl)Nona-1,3,6,8-Tetraen-5-One; 1,3,6,8-Nonatetraen-5-One, 1,9-Diphenyl-
• Molecular Formula: C₂₁H₁₈O
• Molecular Weight: 286.37
• CAS Registry Number: 622-21-9
• EINECS: 210-724-0
• SMILES: C2=C(\C=C\C=C\C(\C=C\C=C\C1=CC=CC=C1)=O)C=CC=C2
• InChI: 1S/C21H18O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-18H/b15-7+,16-8+,17-9+,18-10+
• InChIKey: RLJALOQFYHCJKG-FVRNMFRHSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 143°C (Expl.)
• Boiling point: 474.8±34.0°C at 760 mmHg (Cal.)
• Flash point: 208.7±20.6°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): Sandra M. Hick, Carolin Griebel, David T. Restrepo, Joshua H. Truitt, Eric J. Buker, Caroline Bylda and Richard G. Blair. Mechanocatalysis for biomass-derived chemicals and fuels, Green Chem., 2010, 12, 468.