Iso amyl 3-phenyl propenoate

Base Information

• Chemical Name: Iso amyl 3-phenyl propenoate
• CAS No.: 7779-65-9
• Molecular Formula: C14H18O2
• Molecular Weight: 218.296
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID4025454
• ChEMBL ID: CHEMBL3183801
• Mol file: 7779-65-9.mol

Synonyms:DTXSID4025454;iso amyl 3-phenyl propenoate;CHEMBL3183801;3-methylbut-1-yl 3-phenylacrylate;FT-0627320

Chemical Property of Iso amyl 3-phenyl propenoate

Chemical Property:

• Appearance/Colour: pale yellow liquid with an iridescent sheen
• Vapor Pressure: 0.000505mmHg at 25°C
• Refractive Index: n20/D 1.536(lit.)
• Boiling Point: 313.167 °C at 760 mmHg
• Flash Point: 165.237 °C
• PSA: 26.30000
• Density: 1.007 g/cm³
• LogP: 3.28910
• Water Solubility.: <0.1 g/100 mL at 20℃
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 218.130679813
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

Isoamyl cinnamate natural, FG ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOC(=O)C=CC1=CC=CC=C1
• 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.

Technology Process of Iso amyl 3-phenyl propenoate

There total 2 articles about Iso amyl 3-phenyl propenoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 60.0%

i-Amyl alcohol (123-51-3) + Cinnamic acid (621-82-9) → isoamyl cinnamate (7779-65-9)

Guidance literature:

With sulfuric acid; for 4h; Heating;

Reference yield:

→ isoamyl cinnamate (7779-65-9)

Guidance literature:

Saeure, Isoamylalkohol, H2SO4 konz., H2O2;

upstream raw materials:

i-Amyl alcohol

Cinnamic acid

Refernces