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CAS 19823-28-0

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Ethyl 2-cyano-3-methylhexanoate

Description:
Ethyl 2-cyano-3-methylhexanoate, with the CAS number 19823-28-0, is an organic compound that belongs to the class of cyano esters. It features a cyano group (-CN) attached to a hexanoate backbone, which contributes to its reactivity and utility in organic synthesis. This compound is typically a colorless to pale yellow liquid with a characteristic odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic hexanoate structure. Ethyl 2-cyano-3-methylhexanoate is often used as an intermediate in the synthesis of pharmaceuticals and agrochemicals, owing to its ability to undergo various chemical transformations, including nucleophilic additions and cycloadditions. Additionally, it may exhibit moderate toxicity, necessitating appropriate safety precautions during handling and use. As with many cyano compounds, it is important to consider its reactivity and potential environmental impact when utilized in chemical processes.
Formula:C10H17NO2
InChI:InChI=1S/C10H17NO2/c1-4-6-8(3)9(7-11)10(12)13-5-2/h8-9H,4-6H2,1-3H3
InChI key:InChIKey=FIJVOSSCAUGKQY-UHFFFAOYSA-N
SMILES:C(C(CCC)C)(C(OCC)=O)C#N
Synonyms:
  • 2-Cyano-3-methyl-hexanoic acid ethyl ester
  • Ethyl 3-Cyano-3-Methylhexanoate
  • Hexanoic acid, 2-cyano-3-methyl-, ethyl ester
  • NSC 46918
  • Ethyl 2-cyano-3-methylhexanoate
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