Description

3,5-Heptanedione (CAS: 7424-54-6) is a high-purity diketone compound with the molecular formula C₇H₁₂O₂, widely utilized in organic synthesis, pharmaceutical research, and specialty chemical manufacturing. This colorless to pale yellow liquid exhibits a characteristic ketonic odor and is soluble in organic solvents such as ethanol, ether, and acetone. With a purity of ≥95% (GC), it serves as a versatile intermediate for the preparation of heterocyclic compounds, chelating agents, and coordination complexes. Its β-diketone structure enables applications in metal ligand formation and catalysis. Strict quality control ensures consistency for analytical and industrial use, packaged under inert conditions to maintain stability. Ideal for researchers requiring reliable reagents for advanced synthetic methodologies.

Properties

• CAS Number: 7424-54-6
• Complexity: 102
• IUPAC Name: heptane-3,5-dione
• InChI: InChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3
• InChI Key: DGCTVLNZTFDPDJ-UHFFFAOYSA-N
• Exact Mass: 128.083729621
• Molecular Formula: C7H12O2
• Molecular Weight: 128.17
• SMILES: CCC(=O)CC(=O)CC
• Topological: 34.1
• Monoisotopic Mass: 128.083729621
• Synonyms: 3,5-Heptanedione, heptane-3,5-dione, 7424-54-6, Dipropionylmethane, Q3B558E3VY, EINECS 231-054-5, DTXSID1064669, DTXCID4047626, inchi=1/c7h12o2/c1-3-6(8)5-7(9)4-2/h3-5h2,1-2h, 3,5-Heptandione, MFCD00015186, UNII-Q3B558E3VY, 3,5-heptane dione, 3,5-Heptanedione, 97%, SCHEMBL93369, SCHEMBL6110717, SCHEMBL10911674, SCHEMBL29192691, Dipropionylmethane;Heptane-3,5-dione, GEO-02700, AKOS004115517, CS-W013466, GS-3720, SY010299, DB-022120, H1395, NS00037602, 3,5-Heptanedione, purum, >=95.0% (GC), EN300-70185, O11824, Q27286956

3,5-Heptanedione is primarily used as a precursor in the synthesis of complex organic molecules, including pharmaceuticals and agrochemicals. Its β-diketone functionality makes it valuable in coordination chemistry for forming stable metal complexes. Researchers also employ it in polymer science and material design due to its reactive carbonyl groups. Additionally, it serves as a flavor and fragrance intermediate in specialty formulations.

Safety and Hazards

GHS Hazard Statements

• H226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (97.9%)

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