3,4-Hexanedione

• Catalog Number: ACM4437518
• Product Name: 3,4-Hexanedione
• CAS: 4437-51-8
• Category: Heterocyclic Organic Compound
• Synonyms: Bipropionyl
• IUPAC Name: Hexane-3,4-dione
• Molecular Weight: 114.14
• Molecular Formula: C6H10O2
• Canonical SMILES: CCC(=O)C(=O)CC
• InChI: InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
• InChI Key: KVFQMAZOBTXCAZ-UHFFFAOYSA-N
• Boiling Point: 131 °C(lit.)
• Melting Point: -10 °C
• Flash Point: 88 °F
• Density: 0.939 g/mL at 25 °C(lit.)
• Solubility: Almost insoluble in water, soluble in alcohol, oils, very soluble in propylene glycol
• Appearance: Clear yellow liquid
• Storage: Sealed in dry, 2-8 °C
• Complexity: 91.1
• Exact Mass: 114.068079557
• Monoisotopic Mass: 114.068079557
• Refractive Index: n20/D 1.41(lit.)
• Topological Polar Surface Area: 34.1 Ų