Cas no 345909-31-1 (Calcium 2,4-pentanedionate hydrate)

Calcium 2,4-pentanedionate hydrate, also known as calcium acetylacetonate hydrate, is a coordination compound with the formula Ca(C?H?O?)?·xH?O. This white crystalline solid is highly soluble in organic solvents, making it a versatile precursor for chemical synthesis and materials science applications. Its key advantages include excellent thermal stability and consistent reactivity, which are critical for use in catalysis, polymer stabilization, and the production of high-purity calcium oxide via thermal decomposition. The compound’s chelating properties also make it useful in metal-organic frameworks (MOFs) and as a crosslinking agent. Its hydrate form ensures ease of handling and storage while maintaining stability under standard conditions.
Calcium 2,4-pentanedionate hydrate structure
345909-31-1 structure
Product Name:Calcium 2,4-pentanedionate hydrate
CAS No:345909-31-1
MF:C10H16CaO5
MW:256.309042930603
MDL:MFCD00150163
CID:92776
PubChem ID:24892336
Update Time:2025-06-06

Calcium 2,4-pentanedionate hydrate Chemical and Physical Properties

Names and Identifiers

    • Calcium 2,4-pentanedionate hydrate
    • calcium,(E)-4-oxopent-2-en-2-olate,hydrate
    • Ca(acac)2
    • Calcium 2,4-pentanedionate dihydrate; 95%
    • 345909-31-1
    • Calcium 2,4-pentanedionate xhydrate
    • 132098-23-8
    • calcium;(Z)-4-oxopent-2-en-2-olate;hydrate
    • Calcium acetylacetonate hydrate
    • MDL: MFCD00150163
    • Inchi: 1S/2C5H8O2.Ca.H2O/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;1H2/q;;+2;/p-2/b2*4-3-;;
    • InChI Key: FFWWBMKQRYMOKA-SUKNRPLKSA-L
    • SMILES: [Ca+2].[O-]/C(/C)=C\C(C)=O.[O-]/C(/C)=C\C(C)=O.O

Computed Properties

  • Exact Mass: 256.0623645g/mol
  • Monoisotopic Mass: 256.0623645g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 239
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 15
  • XLogP3: nothing
  • Topological Polar Surface Area: 81.3?2

Experimental Properties

  • Color/Form: White solid
  • Melting Point: >280?°C (dec.) (lit.)
  • Solubility: Not determined

Calcium 2,4-pentanedionate hydrate Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI
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SHENG KE LU SI SHENG WU JI SHU
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abcr
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