CAS 78761-39-4

trans-Cinnamyl butyrate

Description:

Trans-cinnamyl butyrate is an organic compound classified as an ester, formed from the reaction of trans-cinnamyl alcohol and butyric acid. It is characterized by its pleasant, sweet, and fruity aroma, which makes it a valuable ingredient in the fragrance and flavor industry. The compound typically appears as a colorless to pale yellow liquid and is known for its low volatility and moderate solubility in water, while being more soluble in organic solvents. Trans-cinnamyl butyrate has a relatively low boiling point and is stable under normal conditions, although it may undergo hydrolysis in the presence of strong acids or bases. Its chemical structure features a trans configuration around the double bond, contributing to its unique sensory properties. Additionally, it is often used in perfumery and as a flavoring agent in food products, highlighting its significance in both industrial and consumer applications. Safety data indicates that, while generally regarded as safe in low concentrations, it should be handled with care to avoid potential skin or respiratory irritation.

Formula: C₁₃H₁₆O₂

InChI: InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6+

InChI key: InChIKey=YZYPQKZWNXANRB-UXBLZVDNSA-N

SMILES: C(=C/COC(CCC)=O)\C1=CC=CC=C1

Synonyms:

• Butanoic acid, (2E)-3-phenyl-2-propen-1-yl ester
• trans-Cinnamyl butyrate
• Butanoic acid, 3-phenyl-2-propenyl ester, (E)-
• Butanoic acid, (2E)-3-phenyl-2-propenyl ester