(3aR,6aS)-5-Acetyl-3,3A,6,6A-Tetrahydro-2H-Cyclopenta[b]Furan-2-One
[CAS# 196297-98-0]

Identification

• Name: (3aR,6aS)-5-Acetyl-3,3A,6,6A-Tetrahydro-2H-Cyclopenta[b]Furan-2-One
• Synonyms: InChI=1/C9H10O3/c1-5(10)6-2-7-4-9(11)12-8(7)3-6/h2,7-8H,3-4H2,1H3/t7-,8-/m0/s1
• Molecular Formula: C₉H₁₀O₃
• Molecular Weight: 166.17
• CAS Registry Number: 196297-98-0
• SMILES: CC(=O)C1=C[C@H]2CC(=O)O[C@H]2C1
• InChI: 1S/C9H10O3/c1-5(10)6-2-7-4-9(11)12-8(7)3-6/h2,7-8H,3-4H2,1H3/t7-,8-/m0/s1
• InChIKey: PHLGONRXWTVAFS-YUMQZZPRSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 364.8±42.0°C at 760 mmHg (Cal.)
• Flash point: 166.9±27.9°C (Cal.)
• Refractive index: 1.527 (Cal.)

References

• (1): Chunjian Liu, Guanglin Bao and D. Jean Burnell. Synthetic studies toward the kempane diterpenes. Diels–Alder additions to bicyclic dienes, J. Chem. Soc., Perkin Trans. 1, 2001, 0, 2644.