CAS 3664-60-6

7-Octen-2-one

Description:

7-Octen-2-one is an organic compound classified as a ketone, characterized by its unsaturated carbon chain and a carbonyl group (C=O) located at the second carbon of the chain. It has a molecular formula of C8H14O and features a double bond between the seventh and eighth carbon atoms, contributing to its reactivity and potential applications in organic synthesis. This compound is typically a colorless to pale yellow liquid with a distinctive odor, often described as fruity or floral, which makes it of interest in the flavor and fragrance industries. Its boiling point and solubility characteristics suggest that it is moderately volatile and can dissolve in organic solvents. 7-Octen-2-one can participate in various chemical reactions, including oxidation and addition reactions, due to the presence of both the double bond and the carbonyl group. Additionally, it may be used as an intermediate in the synthesis of more complex organic molecules, highlighting its significance in chemical research and industrial applications.

Formula: C₈H₁₄O

InChI: InChI=1/C8H14O/c1-3-4-5-6-7-8(2)9/h3H,1,4-7H2,2H3

InChI key: InChIKey=RXHCEQYNSQNEOK-UHFFFAOYSA-N

SMILES: C(CC(C)=O)CCC=C

Synonyms:

• 7-octen-2-one
• 6-Acetyl-1-hexene
• 1-Octen-7-one
• 7-Octen-2-one
• oct-7-en-2-one

Oct-7-en-2-one

CAS: 3664-60-6

Oct-7-en-2-one is a reactive diketone that reacts with oxygen to form peroxides and other reactive oxygen species. This isomeric compound has been shown to react with nucleophiles, such as styrene, forming an intermediate that undergoes a nucleophilic attack by the carbonyl group. The mechanism of this reaction remains unclear, but it may be rationalized by invoking the following steps: 1) Oct-7-en-2-one reacts with molecular oxygen to form peroxides and other reactive oxygen species; 2) The peroxides then react with styrene to produce an intermediate; 3) Finally, the carbonyl group of the intermediate reacts with the nucleophilic group on the styrene molecule.

Formula: C₈H₁₄O

Purity: Min. 95%

Molecular weight: 126.2 g/mol

Ref: 3D-DAA66460