Ethyl caffeate

Base Information Edit

Chemical Name:Ethyl caffeate
CAS No.:66648-50-8
Molecular Formula:C₁₁H₁₂O₄
Molecular Weight:208.214
Hs Code.:
NSC Number:619661
UNII:76GBB1JU5Y
DSSTox Substance ID:DTXSID70876375
Nikkaji Number:J275.522J,J415.776A
Wikipedia:Ethyl_caffeate
Wikidata:Q5404446
Metabolomics Workbench ID:124285
ChEMBL ID:CHEMBL17347
Mol file:66648-50-8.mol

Synonyms:caffeic acid ethyl ester;ethyl caffeate;ethyl trans-caffeate

Suppliers and Price of Ethyl caffeate

Supply Marketing:Edit

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

TRC
Ethyl 3,4-dihydroxycinnamate
100mg
$ 70.00

Sigma-Aldrich
Ethyl 3,4-dihydroxycinnamate AldrichCPR
100mg
$ 57.00

Sigma-Aldrich
Ethyl trans-caffeate phyproof? Reference Substance
100 mg
$ 157.00

Crysdot
Ethyl trans-caffeate 97%
25g
$ 153.00

Crysdot
Ethyl trans-caffeate 97%
5g
$ 47.00

Crysdot
Ethyl trans-caffeate 97%
10g
$ 78.00

Arctom
(E)-EthylDihydroxycinnamate 98%
25g
$ 97.00

Arctom
(E)-EthylDihydroxycinnamate 98%
5g
$ 27.00

Arctom
Ethylcaffeate
20mg
$ 40.00

Arctom
(E)-EthylDihydroxycinnamate 98%
100g
$ 340.00

Total 35 raw suppliers

Chemical Property of Ethyl caffeate Edit

Chemical Property:

Vapor Pressure:3.22E-06mmHg at 25°C
Melting Point:147～151℃
Refractive Index:1.612
Boiling Point:377 °C at 760 mmHg
PKA:8.71±0.18(Predicted)
Flash Point:148.4 °C
PSA：66.76000
Density:1.271 g/cm³
LogP:1.67410
Storage Temp.:2-8°C
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:208.07355886
Heavy Atom Count:15
Complexity:237

Purity/Quality:

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

Ethyl 3,4-dihydroxycinnamate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 36/37/38-22
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C=CC1=CC(=C(C=C1)O)O
Isomeric SMILES:CCOC(=O)/C=C/C1=CC(=C(C=C1)O)O
Uses Ethyl 3,4-dihydroxycinnamate shows anti-inflammatory, immunomodulatory, and anti-carcinogenic properties. It is a potent and specific inhibitor of NF-κB and its downstream inflammatory mediators: NOS2 (inducible nitric oxide synthase; NOS; NOS II), Cox-2 (cyclooxygenase-2), and prostaglandin E2 (PGE2). Ethyl 3,4-Dihydroxycinnamate prevents DNA single-strand breaks caused by H2O2.

Technology Process of Ethyl caffeate

There total 13 articles about Ethyl caffeate 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: 100.0%