Cas no 626-53-9 (2,4,6-Heptanetrione)

2,4,6-Heptanetrione structure
2,4,6-Heptanetrione structure
Product Name:2,4,6-Heptanetrione
CAS No:626-53-9
MF:C7H10O3
MW:142.152502536774
CID:511739
Update Time:2026-04-29

2,4,6-Heptanetrione Chemical and Physical Properties

Names and Identifiers

    • 2,4,6-Heptanetrione
    • heptane-2,4,6-trione
    • 1,3-Diacetylacetone
    • 2,4,6-heptatrione
    • 2,4,6-trioxoheptane
    • diacetylaceton
    • Diacetylacetone

Computed Properties

  • Exact Mass: 142.06300
  • Monoisotopic Mass: 142.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 152
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 51.2A^2

Experimental Properties

  • Density: 1.0599
  • Melting Point: 49°C
  • Boiling Point: 199.71°C (rough estimate)
  • Flash Point: 86.8°C
  • Refractive Index: 1.4930
  • PSA: 51.21000
  • LogP: 0.51370

2,4,6-Heptanetrione Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Aluminum chloride Solvents: Bis(2-chloroethyl) ether ;  3 min, 0 °C; 0 °C → 20 °C; 24 h, 20 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  cooled
Reference
Unusual aluminum chloride-assisted conversion of isopropenyl acetate into 3-acetyl- and 3,5-diacetyl-2,6-dimethyl-4H-pyran-4-ones
Novikov, V. L.; et al, Russian Chemical Bulletin, 2010, 59(8), 1600-1604

2,4,6-Heptanetrione Raw materials

2,4,6-Heptanetrione Preparation Products

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