3-Methylene-2,6-Heptanedione
[CAS# 22289-05-0]

Identification

• Name: 3-Methylene-2,6-Heptanedione
• Synonyms: 3-Methyleneheptane-2,6-dione; 3-Methylene-heptane-2,6-dione; InChI=1/C8H12O2/c1-6(8(3)10)4-5-7(2)9/h1,4-5H2,2-3H3
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.18
• CAS Registry Number: 22289-05-0
• SMILES: CC(=O)CCC(=C)C(=O)C
• InChI: 1S/C8H12O2/c1-6(8(3)10)4-5-7(2)9/h1,4-5H2,2-3H3
• InChIKey: FFPAMXZGKPTNDP-UHFFFAOYSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 246.5±23.0°C at 760 mmHg (Cal.)
• Flash point: 90.5±19.6°C (Cal.)
• Refractive index: 1.431 (Cal.)

References

• (1): Perry T Kaye and Xolani W. Nocanda. A convenient general synthesis of 3-substituted 2H-chromene derivatives, J. Chem. Soc., Perkin Trans. 1, 2002, 0, 1318.