4-Fluoro-3,4,5-Trimethyl-2,5-Cyclohexadien-1-One
[CAS# 246229-01-6]

Identification

• Name: 4-Fluoro-3,4,5-Trimethyl-2,5-Cyclohexadien-1-One
• Synonyms: 4-fluoro-3,4,5-trimethylcyclohexa-2,5-dienone
• Molecular Formula: C₉H₁₁FO
• Molecular Weight: 154.18
• CAS Registry Number: 246229-01-6
• SMILES: CC1=CC(=O)C=C(C1(C)F)C
• InChI: 1S/C9H11FO/c1-6-4-8(11)5-7(2)9(6,3)10/h4-5H,1-3H3
• InChIKey: BUBJPXXDJSEJLX-UHFFFAOYSA-N

Properties

• Density: 1.043g/cm³ (Cal.)
• Boiling point: 200.108°C at 760 mmHg (Cal.)
• Flash point: 85.883°C (Cal.)
• Refractive index: 1.47 (Cal.)