1-Isobutyl-3,5-Dimethylcyclohexane
[CAS# 13131-76-5]

Identification

• Name: 1-Isobutyl-3,5-Dimethylcyclohexane
• Synonyms: 2,6-Ditert-Butyl-4-[Di(Phenyl)Methylene]Cyclohexa-2,5-Dien-1-One; 2,6-Ditert-Butyl-4-[Di(Phenyl)Methylene]-1-Cyclohexa-2,5-Dienone; 2,6-Di-Tert-Butyl-4-(Diphenylmethylene)-2,5-Cyclohexadien-1-One
• Molecular Formula: C₂₇H₃₀O
• Molecular Weight: 370.53
• CAS Registry Number: 13131-76-5
• SMILES: C3=C(C(=C1C=C(C(C)(C)C)C(C(=C1)C(C)(C)C)=O)C2=CC=CC=C2)C=CC=C3
• InChI: 1S/C27H30O/c1-26(2,3)22-17-21(18-23(25(22)28)27(4,5)6)24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18H,1-6H3
• InChIKey: YYCJKXQRAPJWCE-UHFFFAOYSA-N

Properties

• Density: 1.052g/cm³ (Cal.)
• Boiling point: 510.864°C at 760 mmHg (Cal.)
• Flash point: 218.742°C (Cal.)