CAS 7796-72-7

4-Pentenoic acid, 3,3-dimethyl-, ethyl ester

Description:

4-Pentenoic acid, 3,3-dimethyl-, ethyl ester, with the CAS number 7796-72-7, is an organic compound classified as an ester. It features a pentenoic acid backbone, characterized by a five-carbon chain with a double bond and a carboxylic acid functional group, which is esterified with ethyl alcohol. This compound typically appears as a colorless to pale yellow liquid and has a distinctive odor. It is soluble in organic solvents and exhibits moderate solubility in water due to the presence of the polar ester group. The compound is known for its reactivity, particularly in polymerization and as a potential intermediate in organic synthesis. It may also participate in various chemical reactions, including esterification and transesterification. Safety data sheets indicate that it should be handled with care, as it may cause irritation to the skin and eyes. Overall, 4-Pentenoic acid, 3,3-dimethyl-, ethyl ester is of interest in both industrial applications and research settings due to its unique structural features and reactivity.

Formula: C₉H₁₆O₂

InChI: InChI=1S/C9H16O2/c1-5-9(3,4)7-8(10)11-6-2/h5H,1,6-7H2,2-4H3

InChI key: InChIKey=ZLDOMUPTDYCDBS-UHFFFAOYSA-N

SMILES: C(CC(OCC)=O)(C=C)(C)C

Synonyms:

• Ethyl 3,3-dimethyl-4-pentenoate
• 3,3-Dimethyl-4-pentenoic acid ethyl ester
• 4-Pentenoic acid, 3,3-dimethyl-, ethyl ester