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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl trans-3-Benzoylacrylate - ≥95% , CAS No.15121-89-8
Synonyms
ethyl (2E)-4-oxo-4-phenylbut-2-enoate | Avetol | ethyl (E)-4-oxo-4-phenylbut-2-enoate | EINECS 206-855-8 | ethyl 4-oxo-4-phenylbut-2-enoate | J-640273 | D88769 | Ethyl (2E)-4-oxo-4-phenyl-2-butenoate # | AI3-10548 | EC 408-040-4 | E-ethyl-3-benzoyl-acryla
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Why this grade ≥95% 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 (2E)-4-oxo-4-phenylbut-2-enoate | Avetol | ethyl (E)-4-oxo-4-phenylbut-2-enoate | EINECS 206-855-8 | ethyl 4-oxo-4-phenylbut-2-enoate | J-640273 | D88769 | Ethyl (2E)-4-oxo-4-phenyl-2-butenoate # | AI3-10548 | EC 408-040-4 | E-ethyl-3-benzoyl-acryla
Specifications & Purity
≥95%
Names and Identifiers Pubchem Sid 504763770 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504763770 Canonical Smiles CCOC(=O)C=CC(=O)C1=CC=CC=C1 IUPAC Name ethyl (E)-4-oxo-4-phenylbut-2-enoate InChIKey ACXLBHHUHSJENU-CMDGGOBGSA-N INCHI 1S/C12H12O3/c1-2-15-12(14)9-8-11(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+ Isomeric SMILES CCOC(=O)/C=C/C(=O)C1=CC=CC=C1 Molecular Weight 204.23 Beilstein 10(2)501 Reaxy-Rn 2210035 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210035&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 Benzoyl derivatives Intermediate Tree Nodes Not available Direct Parent Benzoyl derivatives Alternative Parents Aryl ketones Fatty acid esters Enones Enoate esters Acryloyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoyl - Aryl ketone - Fatty acid ester - Fatty acyl - Acryloyl-group - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). 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 Refractive Index 1.5420 to 1.5460 Flash Point(°C) 132 °C Boil Point(°C) 185°C/25mmHg Molecular Weight 204.220 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 5 Exact Mass 204.079 Da Monoisotopic Mass 204.079 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 250.000 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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