CAS 87862-70-2

4-Pentenoic acid, 5-(1,3-benzodioxol-5-yl)-, ethyl ester

Description:

4-Pentenoic acid, 5-(1,3-benzodioxol-5-yl)-, ethyl ester, with CAS number 87862-70-2, is an organic compound characterized by its ester functional group and a pentenoic acid backbone. This compound features a benzodioxole moiety, which contributes to its aromatic properties and potential biological activity. Typically, esters like this one are known for their pleasant odors and are often used in flavoring and fragrance applications. The presence of the pentenoic acid structure suggests that it may participate in various chemical reactions, such as polymerization or esterification. Additionally, the benzodioxole group may impart specific pharmacological properties, making it of interest in medicinal chemistry. The compound is likely to be a liquid at room temperature, exhibiting moderate solubility in organic solvents. Its reactivity can be influenced by the double bond in the pentenoic acid portion, which may undergo addition reactions. Overall, this compound's unique structure positions it as a potentially valuable substance in both industrial and research contexts.

Formula: C₁₄H₁₆O₄

InChI: InChI=1S/C14H16O4/c1-2-16-14(15)6-4-3-5-11-7-8-12-13(9-11)18-10-17-12/h3,5,7-9H,2,4,6,10H2,1H3

InChI key: OPPOFQHUDQXSSI-UHFFFAOYSA-N

SMILES: CCOC(=O)CCC=CC1=CC2=C(C=C1)OCO2

4-Pentenoic acid, 5-(1,3-benzodioxol-5-yl)-, ethyl ester

CAS: 87862-70-2

Formula: C₁₄H₁₆O₄

Molecular weight: 248.2744

Ref: IN-DA004EEC