3-Butyl-7-Hydroxy-4-Methyl-6-Pentylchromen-2-One
[CAS# 111052-71-2]

Identification

• Name: 3-Butyl-7-Hydroxy-4-Methyl-6-Pentylchromen-2-One
• Synonyms: 3-Butyl-7-Hydroxy-4-Methyl-6-Pentyl-Chromen-2-One; 3-Butyl-7-Hydroxy-4-Methyl-6-Pentyl-2-Chromenone; 6-Amyl-3-Butyl-7-Hydroxy-4-Methyl-Coumarin
• Molecular Formula: C₁₉H₂₆O₃
• Molecular Weight: 302.41
• CAS Registry Number: 111052-71-2
• SMILES: C1=C2C(=CC(=C1CCCCC)O)OC(=O)C(=C2C)CCCC
• InChI: 1S/C19H26O3/c1-4-6-8-9-14-11-16-13(3)15(10-7-5-2)19(21)22-18(16)12-17(14)20/h11-12,20H,4-10H2,1-3H3
• InChIKey: ZBIHOLUXWKOYOA-UHFFFAOYSA-N

Properties

• Density: 1.063g/cm³ (Cal.)
• Boiling point: 461.959°C at 760 mmHg (Cal.)
• Flash point: 186.922°C (Cal.)