3-Hexene-2,5-Dione
[CAS# 4436-75-3]

Identification

• Name: 3-Hexene-2,5-Dione
• Synonyms: 3-Hexene-2,5-Dione (Cis); Nsc38025; 1,2-Diacetylethylene
• Molecular Formula: C₆H₈O₂
• Molecular Weight: 112.13
• CAS Registry Number: 4436-75-3
• SMILES: CC(=O)\C=C/C(=O)C
• InChI: 1S/C6H8O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3/b4-3-
• InChIKey: OTSKZNVDZOOHRX-ARJAWSKDSA-N

Properties

• Density: 0.971g/cm³ (Cal.)
• Boiling point: 213.036°C at 760 mmHg (Cal.)
• Flash point: 76.372°C (Cal.)

References

• (1): Chimène Asta, Jürgen Conrad, Sabine Mika and Uwe Beifuss,†. Laccase-catalyzed stereoselective oxidative ring opening of 2,5-dialkylfurans into 2-ene-1,4-diones using air as an oxidant, Green Chem., 2011, 13, 3066.