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CAS 16930-95-3

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Ethyl 2-heptynoate

Description:
Ethyl 2-heptynoate is an organic compound classified as an alkyne ester, characterized by its distinctive triple bond and ester functional group. It has a molecular formula of C11H18O2, indicating it contains 11 carbon atoms, 18 hydrogen atoms, and 2 oxygen atoms. This compound typically appears as a colorless to pale yellow liquid with a fruity odor, making it of interest in flavor and fragrance applications. Ethyl 2-heptynoate is known for its relatively low boiling point and moderate solubility in water, while being more soluble in organic solvents. Its structure features a heptyne backbone, which contributes to its reactivity and potential applications in organic synthesis. Additionally, it can undergo various chemical reactions, including hydrolysis and transesterification, making it useful in the production of other chemical compounds. Safety data indicates that, like many organic esters, it should be handled with care, as it may cause irritation upon contact with skin or eyes. Overall, ethyl 2-heptynoate is a versatile compound with applications in both industrial and research settings.
Formula:C9H14O2
InChI:InChI=1S/C9H14O2/c1-3-5-6-7-8-9(10)11-4-2/h3-6H2,1-2H3
InChI key:InChIKey=GDCQMGYMFGPMCX-UHFFFAOYSA-N
SMILES:C(C#CCCCC)(OCC)=O
Synonyms:
  • 2-Heptynoic acid ethyl ester
  • Ent 33391
  • Ethyl Hept-2-Ynoate
  • NSC 190963
  • Ethyl 2-heptynoate
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