4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one
[CAS# 90632-47-6]

Identification

• Name: 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one
• Synonyms: 6-(1-Butylheptyl)-4-Methoxy-Pyran-2-One; 6-(1-Butylheptyl)-4-Methoxy-2-Pyranone; 4-Methoxy-6-Undecan-5-Yl-Pyran-2-One
• Molecular Formula: C₁₇H₂₈O₃
• Molecular Weight: 280.41
• CAS Registry Number: 90632-47-6
• SMILES: C(C(C1=CC(=CC(O1)=O)OC)CCCC)CCCCC
• InChI: 1S/C17H28O3/c1-4-6-8-9-11-14(10-7-5-2)16-12-15(19-3)13-17(18)20-16/h12-14H,4-11H2,1-3H3
• InChIKey: SVLITVXQXAHLNU-UHFFFAOYSA-N

Properties

• Density: 0.98g/cm³ (Cal.)
• Boiling point: 407.695°C at 760 mmHg (Cal.)
• Flash point: 172.769°C (Cal.)