5-Pentyl-1,3-Cyclohexanedione
[CAS# 18456-88-7]

Identification

• Name: 5-Pentyl-1,3-Cyclohexanedione
• Synonyms: 5-pentylcyclohexane-1,3-dione; 5-Pentyl-cyclohexane-1,3-dione
• Molecular Formula: C₁₁H₁₈O₂
• Molecular Weight: 182.26
• CAS Registry Number: 18456-88-7
• SMILES: O=C1CC(CCCCC)CC(=O)C1
• InChI: 1S/C11H18O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h9H,2-8H2,1H3
• InChIKey: DBEXKDYDVZVANM-UHFFFAOYSA-N

Properties

• Density: 0.977g/cm³ (Cal.)
• Boiling point: 298.919°C at 760 mmHg (Cal.)
• Flash point: 111.607°C (Cal.)
• Refractive index: 1.461 (Cal.)

References

• (1): Arnoldi Anna, Bonsignori Alberto, Melloni Piero, Merlini Lucio, Quadri Maria Luisa, Rossi Alessandro C., Valsecchi Mariella. Synthesis and anticonvulsant and sedative-hypnotic activity of 4-(alkylimino)-2,3-dihydro-4H-1-benzopyrans and benzothiopyrans, Journal of Medicinal Chemistry, 1990