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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Acetoxy-3-methoxycinnamic acid - ≥97% , CAS No.2596-47-6
Synonyms
5-trifluoromethyl uracil | 5,6-INDOLINEDIONE, 3-HYDROXY-1-METHYL- | Q27159264 | trans-4-o-acetylferulic acid | (2E)-3-[4-(acetyloxy)-3-methoxyphenyl]prop-2-enoic acid | AMY41525 | CHEBI:86582 | 3-Methoxy-4-acetoxycinnamic acid | NSC16957 | NSC-16957 | tra
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Why this grade ≥97% 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
5-trifluoromethyl uracil | 5, 6-INDOLINEDIONE, 3-HYDROXY-1-METHYL- | Q27159264 | trans-4-o-acetylferulic acid | (2E)-3-[4-(acetyloxy)-3-methoxyphenyl]prop-2-enoic acid | AMY41525 | CHEBI:86582 | 3-Methoxy-4-acetoxycinnamic acid | NSC16957 | NSC-16957 | tra
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 504763671 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504763671 Canonical Smiles CC(=O)OC1=C(C=C(C=C1)C=CC(=O)O)OC IUPAC Name (E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoic acid InChIKey IHKNVZISLLDMOR-GQCTYLIASA-N INCHI 1S/C12H12O5/c1-8(13)17-10-5-3-9(4-6-12(14)15)7-11(10)16-2/h3-7H,1-2H3,(H,14,15)/b6-4+ Isomeric SMILES CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)O)OC Molecular Weight 236.226 Reaxy-Rn 2218026 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2218026&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 Phenylpropanoids and polyketides Class Cinnamic acids and derivatives Subclass Hydroxycinnamic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Coumaric acids and derivatives Alternative Parents Cinnamic acids Phenol esters Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Cinnamic acid - Coumaric acid or derivatives - Phenol ester - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. External Descriptors acetate ester - monomethoxybenzene - cinnamic acids 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 236.220 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 5 Exact Mass 236.068 Da Monoisotopic Mass 236.068 Da Topological Polar Surface Area 72.800 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 310.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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