2,3-Heptanedione

• CAS: 96-04-8
• Catalog Number: ACM96048
• Category: Other Products
• Molecular Weight: 128.17
• Molecular Formula: C₇H₁₂O₂
• Synonyms: Acetyl valeryl
• IUPAC Name: Heptane-2,3-dione
• Canonical SMILES: CCCCC(=O)C(=O)C
• InChI: InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
• InChI Key: FJPGAMCQJNLTJC-UHFFFAOYSA-N
• Boiling Point: 64 °C
• Melting Point: 26.25 °C
• Flash Point: 105 °F
• Density: 0.92 g/mL at 25 °C(lit.)
• Solubility: Slightly soluble in water; soluble in alcohol
• Exact Mass: 128.083729621
• Monoisotopic Mass: 128.083729621
• Physical State: Liquid
• Refractive Index: n20/D 1.415(lit.)
• Topological Polar Surface Area: 34.1 Ų