Caffeic acid phenethyl ester

Base Information

Chemical Name:Caffeic acid phenethyl ester
CAS No.:115610-29-2
Molecular Formula:C₁₇H₁₆O₄
Molecular Weight:284.312
Hs Code.:
European Community (EC) Number:627-151-0
UNII:G960R9S5SK
ChEMBL ID:CHEMBL319244
DSSTox Substance ID:DTXSID80861176
Metabolomics Workbench ID:70437
NCI Thesaurus Code:C63756
Nikkaji Number:J367.536J,J524.610E
Pharos Ligand ID:PPDYTNGS8S21
Wikidata:Q15410860
Wikipedia:Caffeic_acid_phenethyl_ester
Mol file:115610-29-2.mol

Synonyms:caffeic acid phenethyl ester;caffeic acid phenyl ester;CAPE compound;CAPEEE;phenethyl caffeate;phenyl caffeate

Suppliers and Price of Caffeic acid phenethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Ambeed
(E)-Phenethyl3-(3,4-dihydroxyphenyl)acrylate 98%
25g
$ 65.00

Ambeed
(E)-Phenethyl3-(3,4-dihydroxyphenyl)acrylate 98%
5g
$ 17.00

Ambeed
(E)-Phenethyl3-(3,4-dihydroxyphenyl)acrylate 98%
1g
$ 7.00

Total 19 raw suppliers

Chemical Property of Caffeic acid phenethyl ester

Chemical Property:

Vapor Pressure:1.45E-10mmHg at 25°C
Melting Point:121-123 °C
Refractive Index:1.645
Boiling Point:498.6 °C at 760 mmHg
PKA:9.32±0.10(Predicted)
Flash Point:185.1 °C
PSA：66.76000
Density:1.266 /cm³
LogP:2.89690
Storage Temp.:-20°C
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:284.10485899
Heavy Atom Count:21
Complexity:347

Purity/Quality:

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

(E)-Phenethyl3-(3,4-dihydroxyphenyl)acrylate 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s): R36/37/38:;
Hazard Codes: Xi:Irritant;
Statements: R36/37/38:;
Safety Statements: S26:; S36:;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2)O)O
Isomeric SMILES:C1=CC=C(C=C1)CCOC(=O)/C=C/C2=CC(=C(C=C2)O)O

Technology Process of Caffeic acid phenethyl ester

There total 14 articles about Caffeic acid phenethyl ester 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: 82.6%