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· · COA & SDS available for every product · Same-day shipping on in-stock items (1E,4E)-1,5-Bis[3,5-bis(methoxymethoxy)phenyl]-1,4-pentadiene-3-one - ≥97%(HPLC) , CAS No.917813-62-8 🧪
Why this grade ≥97%(HPLC) 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 Specifications & Purity
≥97%(HPLC)
Names and Identifiers Canonical Smiles COCOC1=CC(=CC(=C1)C=CC(=O)C=CC2=CC(=CC(=C2)OCOC)OCOC)OCOC IUPAC Name (1E,4E)-1,5-bis[3,5-bis(methoxymethoxy)phenyl]penta-1,4-dien-3-one InChIKey WZNSZBNRYKYIQK-KQQUZDAGSA-N INCHI 1S/C25H30O9/c1-27-15-31-22-9-19(10-23(13-22)32-16-28-2)5-7-21(26)8-6-20-11-24(33-17-29-3)14-25(12-20)34-18-30-4/h5-14H,15-18H2,1-4H3/b7-5+,8-6+ Isomeric SMILES COCOC1=CC(=CC(=C1)/C=C/C(=O)/C=C/C2=CC(=CC(=C2)OCOC)OCOC)OCOC Molecular Weight 474.51 Reaxy-Rn 20803288 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20803288&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 Not available Intermediate Tree Nodes Not available Direct Parent Cinnamic acids and derivatives Alternative Parents Styrenes Phenoxy compounds Phenol ethers Enones Acryloyl compounds Ketones Acetals Organic oxides Hydrocarbon derivatives Aldehydes Molecular Framework Aromatic homomonocyclic compounds Substituents Cinnamic acid or derivatives - Phenoxy compound - Phenol ether - Styrene - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Acetal - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aldehyde - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid. 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(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 92 °C Molecular Weight 474.500 g/mol XLogP3 3.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 16 Exact Mass 474.189 Da Monoisotopic Mass 474.189 Da Topological Polar Surface Area 90.900 Ų Heavy Atom Count 34 Formal Charge 0 Complexity 527.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 2 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 2 Covalently-Bonded Unit Count 1
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