2-Isovaleryl-1,3-Indanedione
[CAS# 83-28-3]

Identification

• Name: 2-Isovaleryl-1,3-Indanedione
• Synonyms: 2-(3-Methylbutanoyl)Indane-1,3-Dione; 2-(3-Methyl-1-Oxobutyl)Indane-1,3-Dione; 2-Isovalerylindane-1,3-Quinone
• Molecular Formula: C₁₄H₁₄O₃
• Molecular Weight: 230.26
• CAS Registry Number: 83-28-3
• EINECS: 201-464-9
• SMILES: C1=CC=CC2=C1C(C(C2=O)C(CC(C)C)=O)=O
• InChI: 1S/C14H14O3/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17/h3-6,8,12H,7H2,1-2H3
• InChIKey: PVWMAOPFDINGAY-UHFFFAOYSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 392.594°C at 760 mmHg (Cal.)
• Flash point: 170.024°C (Cal.)

References

• (1): Jonathan Lowther, Beverley A. Yard, Kenneth A. Johnson, Lester G. Carter, Venugopal T. Bhat, Marine C. C. Raman, David J. Clarke, Britta Ramakers, Stephen A. McMahon, James H. Naismith and Dominic J. Campopiano. Inhibition of the PLP-dependent enzyme serine palmitoyltransferase by cycloserine: evidence for a novel decarboxylative mechanism of inactivation, Mol. Biosyst., 2010, 6, 1682.