3-(3,3-Dimethylbutyl)Cycloheptanone
[CAS# 40564-95-2]

Identification

• Name: 3-(3,3-Dimethylbutyl)Cycloheptanone
• Synonyms: 3-(3,3-Dimethylbutyl)cycloheptanone #
• Molecular Formula: C₁₃H₂₄O
• Molecular Weight: 196.33
• CAS Registry Number: 40564-95-2
• SMILES: O=C1CC(CCC(C)(C)C)CCCC1
• InChI: 1S/C13H24O/c1-13(2,3)9-8-11-6-4-5-7-12(14)10-11/h11H,4-10H2,1-3H3
• InChIKey: VSTJKRMTNDBZND-UHFFFAOYSA-N

Properties

• Density: 0.875g/cm³ (Cal.)
• Boiling point: 254.207°C at 760 mmHg (Cal.)
• Flash point: 100.183°C (Cal.)