6178-44-5

Basic information

• Product Name: Ethyl 3,4,5-trimethoxybenzoate
• Synonyms: RARECHEM AL BI 0063;3,4,5-TRIMETHOXYBENZOIC ACID ETHYL ESTER;ETHYL 3,4,5-TRIMETHOXYBENZOATE;3,4,5-Trimethoxybenzoic;Nsc26825;Benzoic acid, 3,4,5-triMethoxy-, ethyl ester
• CAS NO: 6178-44-5
• Molecular Formula: C₁₂H₁₆O₅
• Molecular Weight: 240.25
• Product Categories: Aromatic Esters
• Mol File: 6178-44-5.mol
• Article Data: 49

Chemical Properties

• Melting Point: 54 °C
• Boiling Point: 168 °C / 6mmHg
• Flash Point: 123.4 °C
• Appearance: /
• Density: 1.113 g/cm³
• Vapor Pressure: 0.00189mmHg at 25°C
• Refractive Index: 1.492
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: Ethyl 3,4,5-trimethoxybenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl 3,4,5-trimethoxybenzoate(6178-44-5)
• EPA Substance Registry System: Ethyl 3,4,5-trimethoxybenzoate(6178-44-5)

Safety Data

• Safety Statements: 24/25
• Hazardous Substances Data: 6178-44-5(Hazardous Substances Data)

Usage

Description

Ethyl 3,4,5-trimethoxybenzoate is a chemical compound that falls under the category of organic compounds known as benzoic acid esters. It is an ester derivative of benzoic acid and is recognized as a plant metabolite. This aromatic ether is characterized by its molecular formula C13H18O5 and contains a benzoate ester within its structure. Ethyl 3,4,5-trimethoxybenzoate is utilized in various applications and research fields, but it is essential to consider appropriate safety measures due to its chemical properties.

Uses

Used in Chemical Research:
Ethyl 3,4,5-trimethoxybenzoate is used as a research compound for studying its chemical properties and potential applications in the field of organic chemistry. Its unique structure and characteristics make it a valuable subject for scientific investigation.
Used in Pharmaceutical Industry:
Ethyl 3,4,5-trimethoxybenzoate is used as an intermediate in the synthesis of various pharmaceutical compounds. Its presence in plant metabolites suggests potential biological activity, which can be harnessed for the development of new drugs.
Used in Flavor and Fragrance Industry:
Ethyl 3,4,5-trimethoxybenzoate is used as a flavoring agent and a fragrance ingredient in the production of food and cosmetic products. Its aromatic properties contribute to the creation of unique scents and flavors.
Used in Agrochemical Industry:
Ethyl 3,4,5-trimethoxybenzoate is used as a component in the formulation of agrochemicals, such as pesticides and herbicides. Its plant metabolite nature may provide insights into the development of more effective and environmentally friendly products.
Used in Material Science:
Ethyl 3,4,5-trimethoxybenzoate is used as a component in the development of new materials, such as polymers and coatings, due to its chemical properties. Its potential applications in material science can lead to the creation of innovative products with improved performance.

InChI:InChI=1/C12H16O5/c1-5-17-12(13)8-6-9(14-2)11(16-4)10(7-8)15-3/h6-7H,5H2,1-4H3

Upstream product

• 64-17-5 ethanol 
• 86-81-7 3,4,5-trimethoxy-benzaldehyde 
• 4521-61-3 3,4,5-Trimethoxybenzoyl chloride 
• 74-83-9 methyl bromide 
• 831-61-8 Ethyl gallate 
• 74-88-4 methyl iodide 
• 3044-56-2 ethyl trimethoxybenzoyl acetate 
• 78-39-7 Triethyl orthoacetate 
• 118-41-2 Eudesmic acid 
• 1916-07-0 3,4,5-trimethoxybenzoic acid methyl ester 
• 77-78-1 dimethyl sulfate 
• 186581-53-3 diazomethane 

Downstream Products

• 3840-31-1 (3,4,5-trimethoxyphenyl)methanol 
• 186603-53-2 3,4,5-trimethoxy-2-nitro-benzoic acid ethyl ester 
• 3291-03-0 3,4,5-trimethoxybenzohydrazide 
• 13513-93-4 N-(tolul-4-sulfonyl)-N'-(3,4,5-trimethoxy-benzoyl)-hydrazine 
• 75921-68-5 1,2,3-trimethoxy-5-(methoxymethyl)benzene 
• 258283-82-8 6-(6-bromomethyl-2,3,4-trimethoxy-phenyl)-benzo[1,3]dioxole-5-carbaldehyde 
• 1016-19-9 3,4,5-trimethoxyphenylisocyanate 

Relevant articles and documents

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A series of new acyl-functionalized molybdenum(II) complexes [(η3-C3H5)(η5-C5H4COR)Mo(CO)2] have been successfully synthesized and crystallographically characterized, and the rel

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Compounds which are thiazole and triazole derivatives are disclosed, including compounds of the following genus: Formula I. The compounds are inhibitors of hematopoietic cell kinase (HCK) and exhibit anti-fibrotic and anti-proliferative effects. They are useful in the treatment of a variety of disorders, including a fibrosis or a fibrotic disease, such as renal fibrosis.

Differences in the Mechanisms of MnO2Oxidation between Lignin Model Compounds with the p-Hydroxyphenyl, Guaiacyl, and Syringyl Nuclei

The purpose of this study was to examine how the rate and mechanism of MnO2 oxidation differ between the p-hydroxyphenyl (H), guaiacyl (G), and syringyl (S) types of simple nonphenolic lignin model compounds as well as the p-ethylphenyl (E) type compounds. The oxidation was conducted using an excess amount of MnO2 in a sulfate buffer solution at a pH value of 1.5 at room temperature. MnO2 oxidized at least the G and S nuclei, although it commonly oxidizes alcohols present at the benzyl position. The oxidation rates of the benzyl alcohol derivatives were in the order of G- > S- ? H- > E-type, which suggests that the rates are determined by the electronic effects of their methoxy and ethyl functional groups on not only their benzyl positions but also their aromatic π-electron systems. The kinetic isotope effect was observed in the MnO2 oxidations of the same derivatives deuterated at their benzyl hydroxymethyl groups. The observed magnitudes were in the order of E- ? H- > G- ? S-type, suggesting that the contribution of oxidation of their aromatic nuclei, which is another reaction mode of the oxidation of their benzyl positions, increases in the reverse order.