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· · COA & SDS available for every product · Same-day shipping on in-stock items 3,4,5-Trimethoxybenzoic Acid Ethyl Ester - ≥96%(GC) , CAS No.6178-44-5
Synonyms
Ethyl 3,4,5-Trimethoxybenzoate | HY-W012092 | 3,4,5-Trimethoxybenzoic Acid Ethyl Ester | Z53836337 | Ethyl 3,4,5-trimethoxybenzoate; | FT-0636014 | ethyltrimethoxy benzoate | AMY32800 | DTXSID50282612 | T2015 | NSC26825 | NSC-26825 | AC-11226 | SCHEMBL441
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Why this grade ≥96%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Ethyl 3, 4, 5-Trimethoxybenzoate | HY-W012092 | 3, 4, 5-Trimethoxybenzoic Acid Ethyl Ester | Z53836337 | Ethyl 3, 4, 5-trimethoxybenzoate; | FT-0636014 | ethyltrimethoxy benzoate | AMY32800 | DTXSID50282612 | T2015 | NSC26825 | NSC-26825 | AC-11226 | SCHEMBL441
Specifications & Purity
≥96%(GC)
Names and Identifiers Canonical Smiles CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC IUPAC Name ethyl 3,4,5-trimethoxybenzoate InChIKey UEOFNBCUGJADBM-UHFFFAOYSA-N INCHI 1S/C12H16O5/c1-5-17-12(13)8-6-9(14-2)11(16-4)10(7-8)15-3/h6-7H,5H2,1-4H3 Isomeric SMILES CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC Molecular Weight 240.26 Beilstein 10(4)2002 Reaxy-Rn 2137087 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2137087&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Hydroxybenzoic acid derivatives Direct Parent Gallic acid and derivatives Alternative Parents P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Carboxylic acid ester - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 240.250 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 6 Exact Mass 240.1 Da Monoisotopic Mass 240.1 Da Topological Polar Surface Area 54.000 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 229.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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