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AB62867

111-13-7 | 2-Octanone

Packsize Purity Availability Price Discounted Price    Quantity
5g 97% in stock $25.00 $17.00 -   +
25g 97% in stock $33.00 $23.00 -   +
100g 97% in stock $73.00 $51.00 -   +
500g 97% in stock $249.00 $175.00 -   +

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Description
Catalog Number: AB62867
Chemical Name: 2-Octanone
CAS Number: 111-13-7
Molecular Formula: C8H16O
Molecular Weight: 128.21204
MDL Number: MFCD00009540
SMILES: CCCCCCC(=O)C

 

Computed Properties
Complexity: 76.6  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 1  
Rotatable Bond Count: 5  
XLogP3: 2.4  

 

 

Upstream Synthesis Route 
  • Octan-2-one, also known as ethylhexanone, is a versatile compound that finds numerous applications in chemical synthesis. As a ketone, Octan-2-one serves as a vital building block in organic chemistry reactions, allowing for the formation of various functional groups and structural motifs. Its unique chemical properties make it particularly useful in the production of fragrances, pharmaceuticals, and polymers.In chemical synthesis, Octan-2-one can be utilized as a solvent or as a reagent in numerous reactions. It is often employed in aldol condensation reactions, where it acts as both a nucleophile and an electrophile, facilitating the formation of carbon-carbon bonds. Furthermore, Octan-2-one can participate in a variety of reduction and oxidation reactions, enabling the conversion of functional groups and the synthesis of complex molecules.One of the key applications of Octan-2-one is its role as a precursor in the synthesis of various fine chemicals. By introducing Octan-2-one into a reaction sequence, chemists can access a wide range of derivatives with diverse properties and functions. Its branched structure and moderate reactivity make it a valuable intermediate for the preparation of pharmaceutical compounds, agrochemicals, and advanced materials.Overall, Octan-2-one plays a crucial role in chemical synthesis by serving as a versatile building block for the construction of complex molecules. Its diverse applications and reactivity make it a valuable tool for synthetic chemists seeking to create novel compounds and explore new chemical pathways.
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