3,4-Diacetyl-2,5-hexanedione

• Catalog Number: ACM5027327-1
• Product Name: 3,4-Diacetyl-2,5-hexanedione
• CAS: 5027-32-7
• Category: Heterocyclic Organic Compound
• Synonyms: 1,1,2,2-Tetraacetylethane
• IUPAC Name: 3,4-diacetylhexane-2,5-dione
• Molecular Weight: 198.22
• Molecular Formula: C10H14O4
• Canonical SMILES: CC(=O)C(C(C(=O)C)C(=O)C)C(=O)C
• InChI: CSKRBHOAJUMOKJ-UHFFFAOYSA-N
• InChI Key: InChI=1S/C10H14O4/c1-5(11)9(6(2)12)10(7(3)13)8(4)14/h9-10H,1-4H3
• Boiling Point: 122 °C at 18 mmHg(lit.)
• Melting Point: 191-195 °C
• Flash Point: 146.9ºC
• Density: 1.084±0.06 g/cm3(Predicted)
• Appearance: Solid
• EC Number: 225-718-3
• Exact Mass: 198.08900
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Isomeric SMILES: CC(=O)C(C(C(=O)C)C(=O)C)C(=O)C