5-(1,3-Benzodioxol-5-Yl)-3-Hexylcyclohex-2-En-1-One
[CAS# 119-89-1]

Identification

• Name: 5-(1,3-Benzodioxol-5-Yl)-3-Hexylcyclohex-2-En-1-One
• Synonyms: 5-(1,3-Benzodioxol-5-Yl)-3-Hexyl-Cyclohex-2-En-1-One; 5-(1,3-Benzodioxol-5-Yl)-3-Hexyl-1-Cyclohex-2-Enone; 2-Cyclohexen-1-One, 3-Hexyl-5-(3,4-(Methylenedioxy)Phenyl)-
• Molecular Formula: C₁₉H₂₄O₃
• Molecular Weight: 300.40
• CAS Registry Number: 119-89-1
• SMILES: C2=C(C1CC(=CC(=O)C1)CCCCCC)C=CC3=C2OCO3
• InChI: 1S/C19H24O3/c1-2-3-4-5-6-14-9-16(11-17(20)10-14)15-7-8-18-19(12-15)22-13-21-18/h7-8,10,12,16H,2-6,9,11,13H2,1H3
• InChIKey: JBVNWTXRFKZNBQ-UHFFFAOYSA-N

Properties

• Density: 1.1g/cm³ (Cal.)
• Boiling point: 423.194°C at 760 mmHg (Cal.)
• Flash point: 201.51°C (Cal.)