HEPTYL CINNAMATE

Base Information

• Chemical Name: HEPTYL CINNAMATE
• CAS No.: 10032-08-3
• Molecular Formula: C16H22 O2
• Molecular Weight: 246.34
• Hs Code.: 2916399090
• European Community (EC) Number: 600-064-5
• UNII: 865A76T2CD
• DSSTox Substance ID: DTXSID201009893
• Nikkaji Number: J184.153J
• Wikidata: Q27269710
• ChEMBL ID: CHEMBL2271266
• Mol file: 10032-08-3.mol

Synonyms:Cinnamicacid, heptyl ester (6CI,7CI,8CI); Heptyl cinnamate

Chemical Property of HEPTYL CINNAMATE

Chemical Property:

• Vapor Pressure: 4.49E-05mmHg at 25°C
• Boiling Point: 350.1°Cat760mmHg
• Flash Point: 186.8°C
• PSA: 26.30000
• Density: 0.987g/cm³
• LogP: 4.21340
• XLogP3: 5.5
• 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:

98%,99%, ^*data from raw suppliers

Heptylcinnamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOC(=O)C=CC1=CC=CC=C1
• Isomeric SMILES: CCCCCCCOC(=O)/C=C/C1=CC=CC=C1
• Description: Heptyl cinnamate has a green, leafy odor with a secondary hyacinth note. Heptyl cinnamate is prepared by esterification of nheptanol with cinnamic acid.
• Uses: Heptyl Cinnamate is a synthetic flavoring agent that is a fairly stable, yellow liquid with a hyacinth odor. it should be stored in glass or tin containers. it is used to smooth out fruity flavors and has application in gelatins and puddings at approximately 20 ppm and in candy, beverages, and ice cream at 2–6 ppm.

Technology Process of HEPTYL CINNAMATE

There total 5 articles about HEPTYL CINNAMATE 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: 80.0%

n-heptan1ol (111-70-6) + (E)-3-phenylacrylic acid (140-10-3) → (E)-n-heptyl cinnamate (10032-08-3)

Guidance literature:

With 2-iodo-1-methylpyridinium iodide on PS-DVB resin; triethylamine; In dichloromethane; at 80 ℃; for 0.3h; microwave irradiation;

DOI:10.1016/j.tetlet.2005.02.119

Reference yield: 69.0%

(E)-3-phenylpropenal (14371-10-9) + 1-Bromoheptane (629-04-9) → (E)-n-heptyl cinnamate (10032-08-3)

Guidance literature:

With oxygen; 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,3-bis(mesityl)imidazolium chloride; In tetrahydrofuran; at 50 ℃; for 24h; under 760.051 Torr;

DOI:10.1002/ejoc.201100937

Reference yield: 29.0%

n-heptan1ol (111-70-6) + Cinnamic acid (621-82-9) → (E)-n-heptyl cinnamate (10032-08-3)

Guidance literature:

DOI:10.1271/bbb.60.909

upstream raw materials:

n-heptan1ol

(E)-3-phenylacrylic acid

Cinnamoyl chloride

Cinnamic acid

Refernces

• 1、 Roger,Dvolaitzka. "-". . p. 79,80. Retrieved 1937.
• 2、 Chen, Dong-Dong,Zhang, Bing-Yu,Liu, Xiu-Xiu,Li, Xing-Qiang,Yang, Xin-Juan,Zhou, Le. "Bioactivity and structure–activity relationship of cinnamic acid derivatives and its heteroaromatic ring analogues as potential high-efficient acaricides against Psoroptes cuniculi". supporting information. p. 1149 - 1153. Retrieved 2018/03/05.