3-Allyl-4-Hexyl-2,5-Furandione
[CAS# 586978-91-8]

Identification

• Name: 3-Allyl-4-Hexyl-2,5-Furandione
• Synonyms: 3-allyl-4-hexylfuran-2,5-dione
• Molecular Formula: C₁₃H₁₈O₃
• Molecular Weight: 222.28
• CAS Registry Number: 586978-91-8
• SMILES: O=C/1OC(=O)\C(=C\1CCCCCC)C\C=C
• InChI: 1S/C13H18O3/c1-3-5-6-7-9-11-10(8-4-2)12(14)16-13(11)15/h4H,2-3,5-9H2,1H3
• InChIKey: MRPYBMFALDUJLQ-UHFFFAOYSA-N

Properties

• Density: 1.035g/cm³ (Cal.)
• Boiling point: 326.004°C at 760 mmHg (Cal.)
• Flash point: 143.665°C (Cal.)
• Refractive index: 1.484 (Cal.)