3-Butyl-1,2,4-Cyclopentanetrione
[CAS# 46005-09-8]

Identification

• Name: 3-Butyl-1,2,4-Cyclopentanetrione
• Synonyms: 1,2,4-Cyclopentanetrione, 3-Butyl-; 3-Butyl-1,2,4-Cyclopentanetrione
• Molecular Formula: C₉H₁₂O₃
• Molecular Weight: 168.19
• CAS Registry Number: 46005-09-8
• SMILES: C(C1C(C(=O)CC1=O)=O)CCC
• InChI: 1S/C9H12O3/c1-2-3-4-6-7(10)5-8(11)9(6)12/h6H,2-5H2,1H3
• InChIKey: HMFXLRRRGHKBCH-UHFFFAOYSA-N

Properties

• Density: 1.13g/cm³ (Cal.)
• Boiling point: 293.018°C at 760 mmHg (Cal.)
• Flash point: 122.114°C (Cal.)