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· · COA & SDS available for every product · Same-day shipping on in-stock items 3,4,5-Trimethoxybenzoic acid - ≥99% , CAS No.118-41-2
Synonyms
KBio3_001180 | TRIMETHOPRIM IMPURITY J [EP IMPURITY] | Trimethylgallic acid | CHEBI:454991 | EC 204-248-2 | H5A | Eudesmic Acid; 3,4,5-Trimethoxybenzoic acid; Trimethylgallic acid; 5-methoxy-veratric acid; Gallic acid trimethyl ether | Q-200337 | SpecPlus
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Why this grade ≥99% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
KBio3_001180 | TRIMETHOPRIM IMPURITY J [EP IMPURITY] | Trimethylgallic acid | CHEBI:454991 | EC 204-248-2 | H5A | Eudesmic Acid; 3, 4, 5-Trimethoxybenzoic acid; Trimethylgallic acid; 5-methoxy-veratric acid; Gallic acid trimethyl ether | Q-200337 | SpecPlus
Specifications & Purity
≥99%
Names and Identifiers Pubchem Sid 488180761 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488180761 Canonical Smiles COC1=CC(=CC(=C1OC)OC)C(=O)O IUPAC Name 3,4,5-trimethoxybenzoic acid InChIKey SJSOFNCYXJUNBT-UHFFFAOYSA-N INCHI 1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12) Isomeric SMILES COC1=CC(=CC(=C1OC)OC)C(=O)O WGK Germany 1 PubChem CID 8357 Molecular Weight 212.2 Beilstein 884655 Reaxy-Rn 884655
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 acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Ether - Carboxylic acid - 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 benzoic acids - methoxybenzene 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(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in ethanol, ethyl ether and chloroform. Slightly soluble in water. Boil Point(°C) 225-227°C Melt Point(°C) 171-172°C Molecular Weight 212.200 g/mol XLogP3 1.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 212.068 Da Monoisotopic Mass 212.068 Da Topological Polar Surface Area 65.000 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 204.000 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
Citations of This Product References 1. Yuandong Yu, Guizhao Liang. (2021) Interaction mechanism of phenolic acids and zein: A spectrofluorometric and molecular dynamics investigation. JOURNAL OF MOLECULAR LIQUIDS, [PMID: [10.1016/j.molliq.2021.118032 ]
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