3-Octyl-3H-2-Benzofuran-1-One
[CAS# 137786-58-4]

Identification

• Name: 3-Octyl-3H-2-Benzofuran-1-One
• Synonyms: 3-Octyl-3H-Isobenzofuran-1-One; 3-Octylphthalide; Ny 008
• Molecular Formula: C₁₆H₂₂O₂
• Molecular Weight: 246.35
• CAS Registry Number: 137786-58-4
• SMILES: C1=CC=CC2=C1C(OC2=O)CCCCCCCC
• InChI: 1S/C16H22O2/c1-2-3-4-5-6-7-12-15-13-10-8-9-11-14(13)16(17)18-15/h8-11,15H,2-7,12H2,1H3
• InChIKey: MYGRPRSFUHJZPY-UHFFFAOYSA-N

Properties

• Density: 1.015g/cm³ (Cal.)
• Boiling point: 370.458°C at 760 mmHg (Cal.)
• Flash point: 155.221°C (Cal.)