CAS 115610-29-2

(E)-Caffeic acid phenethyl ester

Description:

(E)-Caffeic acid phenethyl ester, with the CAS number 115610-29-2, is an organic compound derived from caffeic acid, a naturally occurring phenolic compound found in various plants. This ester is characterized by its phenethyl group attached to the caffeic acid structure, which contributes to its biological activity. It typically appears as a yellowish to brownish solid and is soluble in organic solvents like ethanol and methanol, but less soluble in water. The compound exhibits antioxidant properties, which are attributed to its ability to scavenge free radicals, making it of interest in pharmacological and nutraceutical research. Additionally, (E)-Caffeic acid phenethyl ester has been studied for its potential anti-inflammatory and anticancer effects, highlighting its significance in medicinal chemistry. Its stability and reactivity can be influenced by environmental factors such as pH and temperature, which are important considerations in its application and storage. Overall, this compound represents a valuable area of study in the context of natural products and their therapeutic potentials.

Formula: C₁₇H₁₆O₄

InChI: InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+

InChI key: InChIKey=SWUARLUWKZWEBQ-VQHVLOKHSA-N

SMILES: C(=C/C(OCCC1=CC=CC=C1)=O)\C2=CC(O)=C(O)C=C2

Synonyms:

• 2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
• 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
• Phenethyl (E)-caffeate
• 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester, (E)-
• Caffeic acid phenethylester
• 2-phenylethyl 3-(3,4-dihydroxyphenyl)-2-propenoate
• 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester, (2E)-
• phenethyl caffeate
• (E)-Caffeic acid phenethyl ester