(3E)-4-(2-Furyl)-3-Buten-2-One
[CAS# 108811-61-6]

Identification

• Name: (3E)-4-(2-Furyl)-3-Buten-2-One
• Synonyms: (3E)-4-(2-Furyl)-3-buten-2-one #; (E)-4-(furan-2-yl)but-3-en-2-one; (E)-4-Furan-2-yl-but-3-en-2-one
• Molecular Formula: C₈H₈O₂
• Molecular Weight: 136.15
• CAS Registry Number: 108811-61-6
• SMILES: CC(=O)/C=C/C1=CC=CO1
• InChI: 1S/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4+
• InChIKey: GBKGJMYPQZODMI-SNAWJCMRSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 33-38°C (Expl.)
• Boiling point: 227.2±15.0°C at 760 mmHg (Cal.)
• Flash point: 96.8±13.1°C (Cal.)
• Refractive index: 1.529 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): Jennifer Julis, Markus Hölscher and Walter Leitner. Selective hydrogenation of biomass derived substrates using ionic liquid-stabilized ruthenium nanoparticles, Green Chem., 2010, 12, 1634.