1,2,3-Tris(3,5-Ditert-Butyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Cyclopropane
[CAS# 14106-38-8]

Identification

• Name: 1,2,3-Tris(3,5-Ditert-Butyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Cyclopropane
• Synonyms: 4-[2,3-Bis(3,5-Ditert-Butyl-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Cyclopropylidene]-2,6-Ditert-Butyl-Cyclohexa-2,5-Dien-1-One; 4-[2,3-Bis(3,5-Ditert-Butyl-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Cyclopropylidene]-2,6-Ditert-Butyl-1-Cyclohexa-2,5-Dienone; 4-[2,3-Bis(3,5-Ditert-Butyl-4-Keto-1-Cyclohexa-2,5-Dienylidene)Cyclopropylidene]-2,6-Ditert-Butyl-Cyclohexa-2,5-Dien-1-One
• Molecular Formula: C₄₅H₆₀O₃
• Molecular Weight: 648.97
• CAS Registry Number: 14106-38-8
• SMILES: CC(C4=CC(=C2C(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C2=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C=C(C4=O)C(C)(C)C)(C)C
• InChI: 1S/C45H60O3/c1-40(2,3)28-19-25(20-29(37(28)46)41(4,5)6)34-35(26-21-30(42(7,8)9)38(47)31(22-26)43(10,11)12)36(34)27-23-32(44(13,14)15)39(48)33(24-27)45(16,17)18/h19-24H,1-18H3
• InChIKey: DRQQSZVENBAHIP-UHFFFAOYSA-N

Properties

• Density: 1.089g/cm³ (Cal.)
• Boiling point: 663.237°C at 760 mmHg (Cal.)
• Flash point: 264.494°C (Cal.)