(Pentamethylphenyl)Phenyl-Methanone
[CAS# 20386-33-8]

Identification

• Name: (Pentamethylphenyl)Phenyl-Methanone
• Synonyms: (2,3,4,5,6-Pentamethylphenyl)-Phenyl-Methanone; Cds1_000302; Divk1c_001342
• Molecular Formula: C₁₈H₂₀O
• Molecular Weight: 252.36
• CAS Registry Number: 20386-33-8
• SMILES: C1=CC=CC(=C1)C(C2=C(C(=C(C(=C2C)C)C)C)C)=O
• InChI: 1S/C18H20O/c1-11-12(2)14(4)17(15(5)13(11)3)18(19)16-9-7-6-8-10-16/h6-10H,1-5H3
• InChIKey: JFFVBXWGARSRSC-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Melting point: 137-138°C (Expl.)
• Boiling point: 380.9±31.0°C at 760 mmHg (Cal.)
• Flash point: 163.8±19.8°C (Cal.)

Safety Data

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

References

• (1): J. Bakowicz and I. Turowska-Tyrk. Monitoring structural transformations in crystals. 13. On photocyclization in 2,3,4,5,6-pentamethylbenzophenone, 1,3-diphenylbutan-1-one and 2,4,6-triisopropyl-4'-methoxybenzophenone, Acta Cryst. (2010). C66, o29-o32