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CAS 111-80-8

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Methyl 2-nonynoate

Description:
Methyl 2-nonynoate, with the CAS number 111-80-8, is an organic compound classified as an ester. It is derived from the reaction of 2-nonyne, a terminal alkyne, with methanol in the presence of an acid catalyst. This compound typically appears as a colorless to pale yellow liquid with a fruity odor, making it of interest in flavor and fragrance applications. Methyl 2-nonynoate has a molecular formula of C11H20O2 and features a carbon-carbon triple bond, which contributes to its reactivity and potential applications in organic synthesis. Its boiling point is relatively high compared to simpler esters, reflecting the influence of the longer carbon chain. The compound is generally insoluble in water but soluble in organic solvents, which is characteristic of many esters. Methyl 2-nonynoate may also exhibit some degree of toxicity and should be handled with care in laboratory settings. Overall, its unique structure and properties make it a valuable compound in various chemical processes and industries.
Formula:C10H16O2
InChI:InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3
InChI key:InChIKey=NTLJTUMJJWVCTL-UHFFFAOYSA-N
SMILES:C(C#CC(OC)=O)CCCCC
Synonyms:
  • 2-Nonynoic acid methyl ester
  • Methyl Non-2-Ynoate
  • Methyl octin carbonate
  • Methyl octine carbonate
  • NSC 72102
  • Octynecarboxylic acid, methyl ester
  • Methyl 2-nonynoate
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