5-Phenyl-3H-Furan-2-One
[CAS# 1955-39-1]

Identification

• Name: 5-Phenyl-3H-Furan-2-One
• Synonyms: 2-Phenylbutenolide; 3-[.Alpha.-Hydroxybenzylidene]Propionic Acid-.Gamma.-Lactone; Nsc138930
• Molecular Formula: C₁₀H₈O₂
• Molecular Weight: 160.17
• CAS Registry Number: 1955-39-1
• SMILES: C1=CC=CC=C1C2=CCC(O2)=O
• InChI: 1S/C10H8O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-6H,7H2
• InChIKey: RSYIZIBZHMNOMQ-UHFFFAOYSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 367.705°C at 760 mmHg (Cal.)
• Flash point: 153.963°C (Cal.)

References

• (1): Eric Assen B. Kantchev, Tyler B. NorstenCurrent address: Linxens, 22 Changi North Way, Singapore 498810. tyler-brian.norsten@linxens.com; Fax: +65 6542 8835; Tel: +65 6579 1681. and Michael B. Sulliva n. Time-dependent density functional theory (TDDFT) modelling of Pechmann dyes: from accurate absorption maximum prediction to virtual dye screening, Org. Biomol. Chem., 2012, 10, 6682.