4,4-Diethyl-3,4-dihydro-1H-isochromen-1-one
[CAS# 683213-75-4]

Identification

• Name: 4,4-Diethyl-3,4-dihydro-1H-isochromen-1-one
• Synonyms: 4,4-diethylisochroman-1-one
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.26
• CAS Registry Number: 683213-75-4
• SMILES: CCC1(COC(=O)c2c1cccc2)CC
• InChI: 1S/C13H16O2/c1-3-13(4-2)9-15-12(14)10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3
• InChIKey: WSBJJMPNBWMWQE-UHFFFAOYSA-N

Properties

• Density: 1.035g/cm³ (Cal.)
• Boiling point: 339.338°C at 760 mmHg (Cal.)
• Flash point: 140.845°C (Cal.)
• Refractive index: 1.507 (Cal.)