Lot numbers can be found on the outside label of a product:
Decane-2,9-dione
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CAS No. 16538-91-3
- Cat. No. CS-0155059
- Purity≥96%
- MDL No.MFCD03413036
*For research and further manufacturing use only, not for direct human use.
Structure of 16538-91-3
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General Information
- CAS No. 16538-91-3
- Cat. No. CS-0155059
- Purity ≥96%
- MDL No. MFCD03413036
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₈O₂
- Molecular Weight 170.25
- Synonym(s) 2,9-Decanedione
- SMILES CC(=O)CCCCCCC(=O)C
Description
Decane-2,9-dione is a bis-ketone featuring two carbonyl groups separated by a six-carbon chain, offering a rigid yet flexible scaffold for molecular design. This diketone serves as a key intermediate in the synthesis of complex cyclic systems and functionalized polymers, enabling efficient cyclization and cross-coupling reactions under standard conditions.
Application
Decane-2,9-dione serves as a versatile diketone scaffold for the synthesis of heterocyclic systems and macrocyclic compounds. Its well-defined α,ω-dicarbonyl functionality enables reliable cyclization reactions, including aldol condensations and metal-catalyzed ring formation. The molecule exhibits excellent bench stability and facilitates straightforward purification, making it a practical building block in medium-scale synthetic workflows.
Synthesis
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Route1
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478189-32-1 - ~%
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In-stock
16538-91-3
References
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Colonge; Poilane Bulletin de la Societe Chimique de France, 1955 , p. 502
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Route2
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10027-07-3
- ~%
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In-stock
16538-91-3
References
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Blaise; Koehler Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1909 , vol. 148, p. 490 Bulletin de la Societe Chimique de France, 1909 , vol. <4> 5, p. 683
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Route3
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135468-07-4
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In-stock
16538-91-3
References
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Heilbron; Jones; Raphael Journal of the Chemical Society, 1943 , p. 269
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Safety Information
Download SDS|
GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 34.14
- LogP 2.505
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 7
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Key Words
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