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CAS 66546-92-7

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Pentanoic acid, 2-cyano-2-propyl-, methyl ester

Description:
Pentanoic acid, 2-cyano-2-propyl-, methyl ester, also known by its CAS number 66546-92-7, is an organic compound characterized by its ester functional group derived from pentanoic acid and a cyano group. This compound typically appears as a colorless to pale yellow liquid with a distinctive odor. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic alkyl chain. The presence of the cyano group imparts unique reactivity, making it useful in various chemical syntheses and applications, particularly in the production of pharmaceuticals and agrochemicals. Its molecular structure contributes to its properties, including moderate volatility and potential for hydrogen bonding. Safety data indicates that it should be handled with care, as it may pose health risks upon exposure. Overall, pentanoic acid, 2-cyano-2-propyl-, methyl ester is a versatile compound with significant utility in organic chemistry and industrial applications.
Formula:C10H17NO2
InChI:InChI=1S/C10H17NO2/c1-4-6-10(8-11,7-5-2)9(12)13-3/h4-7H2,1-3H3
InChI key:InChIKey=MFPLOZTTYKIUQU-UHFFFAOYSA-N
SMILES:C(C(OC)=O)(CCC)(CCC)C#N
Synonyms:
  • Pentanoic acid, 2-cyano-2-propyl-, methyl ester
  • 2-Cyano-2-propylpentanoic acid methyl ester
  • Methyl 2-cyano-2-propylpentanoate
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