2-Isopropyl-5-Methyl-2,4,6-Cycloheptatrien-1-One
[CAS# 36852-10-5]

Identification

• Name: 2-Isopropyl-5-Methyl-2,4,6-Cycloheptatrien-1-One
• Synonyms: 2-isopropyl-5-methylcyclohepta-2,4,6-trienone
• Molecular Formula: C₁₁H₁₄O
• Molecular Weight: 162.23
• CAS Registry Number: 36852-10-5
• SMILES: Cc1ccc(c(=O)cc1)C(C)C
• InChI: 1S/C11H14O/c1-8(2)10-6-4-9(3)5-7-11(10)12/h4-8H,1-3H3
• InChIKey: FROZMQQADNZBNO-UHFFFAOYSA-N

Properties

• Density: 0.962g/cm³ (Cal.)
• Boiling point: 263.69°C at 760 mmHg (Cal.)
• Flash point: 106.791°C (Cal.)