1,3-Cyclobutanedione
[CAS# 15506-53-3]

Identification

• Name: 1,3-Cyclobutanedione
• Synonyms: Cyclobutane-1,3-Quinone; 1,3-Cyclobutanedione
• Molecular Formula: C₄H₄O₂
• Molecular Weight: 84.07
• CAS Registry Number: 15506-53-3
• SMILES: O=C1CC(C1)=O
• InChI: 1S/C4H4O2/c5-3-1-4(6)2-3/h1-2H2
• InChIKey: PZQGSZRQKQZCOJ-UHFFFAOYSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 226.855°C at 760 mmHg (Cal.)
• Flash point: 82.24°C (Cal.)

References

• (1): Maikel Wijtmans, Frédéric Denonne, Sylvain Célanire, Michel Gillard, Saskia Hulscher, Christel Delaunoy, Nathalie Van houtvin, Remko A. Bakker, Sabine Defays, Julien Gérard, Luc Grooters, Delphine Hubert, Henk Timmerman, Rob Leurs, Patrice Talaga, Iwan J. P. de Esch and Laurent Provins. Histamine H receptor ligands with a 3-cyclobutoxy motif: a novel and versatile constraint of the classical 3-propoxy linker, Med. Chem. Commun., 2010, 1, 39.