5-Octen-2-one

Base Information

• Chemical Name: 5-Octen-2-one
• CAS No.: 22610-86-2
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.199
• DSSTox Substance ID: DTXSID201014525
• Wikidata: Q76304623
• Metabolomics Workbench ID: 46932
• Mol file: 22610-86-2.mol

Synonyms:5-Octen-2-one;(Z)-oct-5-en-2-one;5-OCten-2-one, (Z)-;(Z)-5-octen-2-one;22610-86-2;(5Z)-5-Octen-2-one;(5Z)-oct-5-en-2-one;SCHEMBL9651209;CHEBI:172007;NBFKNCBRFJKDDR-PLNGDYQASA-N;DTXSID201014525

Chemical Property of 5-Octen-2-one

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCCC(=O)C
• Isomeric SMILES: CC/C=C\CCC(=O)C

Refernces

(Z)-1-Nitro-3-hexene as (Z)-3-Hexen-1-yl d¹-Reagent: Synthesis of (Z)-5-Octen-2-one and (Z)-1,8-Undecadien-5-one

10.1055/s-1986-31802

The research focuses on the development of a new synthetic procedure for the preparation of (Z)-5-octen-2-one and (Z)-1,8-undecadien-5-one using (Z)-1-nitro-3-hexene as a key reagent, which corresponds to the (Z)-3-hexen-1-yl d'-synthon. These compounds are important intermediates in the synthesis of (Z)-jasmolone and (Z)-jasmone, natural products with insecticidal and perfumery applications. The study concludes that the target molecules can be obtained in high purity through simple procedures, with an overall yield of 39% and 33% for (Z)-5-octen-2-one and (Z)-1,8-undecadien-5-one, respectively, and chemical purities above 98% as confirmed by gas chromatography analysis.

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