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CAS 30611-21-3

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Methyl 4-(1-oxopentyl)benzoate

Description:
Methyl 4-(1-oxopentyl)benzoate, identified by its CAS number 30611-21-3, is an organic compound that belongs to the class of esters. It features a benzoate moiety, which is a benzene ring substituted with a methyl ester group and a pentyl chain that includes a ketone functional group. This compound is typically characterized by its moderate molecular weight and specific structural features that contribute to its chemical reactivity and physical properties. Methyl 4-(1-oxopentyl)benzoate is likely to be a colorless to pale yellow liquid with a pleasant odor, making it potentially useful in fragrance applications. Its solubility in organic solvents and limited solubility in water are typical for esters. The presence of the ketone group may impart additional reactivity, allowing for various chemical transformations. As with many organic compounds, safety data should be consulted to understand its handling, storage, and potential hazards. Overall, this compound exemplifies the diverse chemistry of esters and their applications in various fields.
Formula:C13H16O3
InChI:InChI=1S/C13H16O3/c1-3-4-5-12(14)10-6-8-11(9-7-10)13(15)16-2/h6-9H,3-5H2,1-2H3
InChI key:InChIKey=LSDGSJYZSOPREL-UHFFFAOYSA-N
SMILES:C(CCCC)(=O)C1=CC=C(C(OC)=O)C=C1
Synonyms:
  • Methyl 4-(1-oxopentyl)benzoate
  • Benzoic acid, p-valeryl-, methyl ester
  • Benzoic acid, 4-(1-oxopentyl)-, methyl ester
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