7779-65-9

Basic information

• Product Name: Isoamyl cinnamate
• Synonyms: 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester;2-Propenoicacid,3-phenyl-,3-methylbutylester;3-methylbutyl3-phenyl-2-propenoate;3-phenyl-2-propenoicaci3-methylbutylester;cinnamicacid,isopentylester;Isopentyl (2E)-3-phenyl-2-propenoate;ISO-PENTYL CINNAMATE;isopentyl 3-phenyl propenoate
• CAS NO: 7779-65-9
• Molecular Formula: C₁₄H₁₈O₂
• Molecular Weight: 218.29
• EINECS: 231-931-2
• Mol File: 7779-65-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 310 °C(lit.)
• Flash Point: >230 °F
• Appearance: pale yellow liquid with an iridescent sheen
• Density: 0.995 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.000505mmHg at 25°C
• Refractive Index: n20/D 1.536(lit.)
• Water Solubility: <0.1 g/100 mL at 20℃
• Stability: Stability Combustible. Incompatible with strong oxidizing agents.
• CAS DataBase Reference: Isoamyl cinnamate(CAS DataBase Reference)
• NIST Chemistry Reference: Isoamyl cinnamate(7779-65-9)
• EPA Substance Registry System: Isoamyl cinnamate(7779-65-9)

Safety Data

• WGK Germany: 2
• Hazardous Substances Data: 7779-65-9(Hazardous Substances Data)

Usage

Description

Isoamyl cinnamate has a balsamic odor reminiscent of cocoa. May be prepared by esterification of cinnamic acid with commercial isoamyl alcohols, which vary in isomer distribution according to source.

Chemical Properties

Different sources of media describe the Chemical Properties of 7779-65-9 differently. You can refer to the following data:
1. Isoamyl cinnamate has a balsamic odor reminiscent of cocoa.
2. pale yellow liquid with an iridescent sheen

Occurrence

Reported found in cinnamon and port wine

Preparation

By esterification of cinnamic acid with commercial isoamyl alcohols, which vary in isomer distribution according to source.

Taste threshold values

Taste characteristics at 35 ppm: sweet, floral, powdery, berry, and spice nuances

General Description

Pale yellow liquid with iridescent sheen.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

An ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Fire Hazard

Isoamyl cinnamate is probably combustible.

InChI:InChI=1/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8-

Upstream product

• 123-51-3 i-Amyl alcohol 
• 621-82-9 Cinnamic acid 

Relevant articles and documents

Syntheses and QSAR studies of sorbic, cinnamic and ricinoleic acid derivatives as potential antibacterial agents

Amides and esters of sorbic, cinnamic and ricinoleic acid have been synthesized and evaluated for their antibacterial activity against gram (+) ve S. aureus, B. subtilis and gram (-) ve E. coli. Most of the compounds have shown moderate to good activity against microorganisms under test. Linear regression analysis of descriptors related to lipophilicity, steric and electronic parameters against antibacterial activity have been performed. QSAR studies indicated the predominance of electronic and steric parameters over the lipophilicity parameters in contributing antibacterial activity.