Cinnamyl heptanoate

Base Information

• Chemical Name: Cinnamyl heptanoate
• CAS No.: 71607-52-8
• Molecular Formula: C16H22 O2
• Molecular Weight: 246.349
• European Community (EC) Number: 275-693-8
• Nikkaji Number: J298.957C,J2.709.162H
• Mol file: 71607-52-8.mol

Synonyms:Cinnamyl heptanoate;3-Phenylallyl heptanoate;EINECS 275-693-8;71607-52-8;HVSYFKKRNSYXHZ-FMIVXFBMSA-N;Heptanoic acid 3-phenyl-2-propenyl ester;Heptanoic acid (E)-3-phenyl-2-propenyl ester

Chemical Property of Cinnamyl heptanoate

Chemical Property:

• Vapor Pressure: 2.42E-05mmHg at 25°C
• Boiling Point: 359.2°C at 760 mmHg
• Flash Point: 131.6°C
• PSA: 26.30000
• Density: 0.987g/cm³
• LogP: 4.21340
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 246.161979940
• Heavy Atom Count: 18
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)OCC=CC1=CC=CC=C1
• Isomeric SMILES: CCCCCCC(=O)OC/C=C/C1=CC=CC=C1

Technology Process of Cinnamyl heptanoate

There total 1 articles about Cinnamyl heptanoate 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: 82.0%

oenanthic acid (111-14-8) + 3-Phenylpropenol (104-54-1) → heptanoic acid trans-cinnamyl ester (71607-52-8)

Guidance literature:

With 1,3-diazabicyclo[5.4.0]-undec-7-ene; 5-hydro-3-oxaoctafluoropentanesulfonyl fluoride; In dichloromethane; at 20 ℃; for 37h;

DOI:10.1016/j.tetlet.2009.03.102

upstream raw materials:

oenanthic acid

3-Phenylpropenol

Refernces