Bicyclo[2.2.2]Octane-2,5-Dione
[CAS# 57346-05-1]

Identification

• Name: Bicyclo[2.2.2]Octane-2,5-Dione
• Synonyms: (1R,4R)-BICYCLO[2.2.2]OCTANE-2,5-DIONE; (1S,4S)-Bicyclo[2.2.2]octane-2,5-dione
• Molecular Formula: C₈H₁₀O₂
• Molecular Weight: 138.16
• CAS Registry Number: 57346-05-1
• SMILES: C1CC2CC(=O)C1CC2=O
• InChI: 1S/C8H10O2/c9-7-4-6-2-1-5(7)3-8(6)10/h5-6H,1-4H2
• InChIKey: WMJKUNDVKHUCMV-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 268.3±33.0°C at 760 mmHg (Cal.)
• Flash point: 99.4±22.4°C (Cal.)

References

• (1): Annika Friberg, Ted Johanson, Johan Franzén, Marie F. Gorwa-Grauslund and Torbjörn Frejd. Efficient bioreduction of bicyclo[2.2.2]octane-2,5-dione and bicyclo[2.2.2]oct-7-ene-2,5-dione by genetically engineered Saccharomyces cerevisiae, Org. Biomol. Chem., 2006, 4, 2304.