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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-(4-Methylphenyl)-3-phenylprop-2-yn-1-one , CAS No.20442-65-3
Synonyms
1-(4-methylphenyl)-3-phenylprop-2-yn-1-one | 3-phenyl-1-(p-tolyl)prop-2-yn-1-one | 3-phenyl-1-p-Tolyl-propynone | Cyto5C3 | Maybridge3_003175 | Phenylethynyl p-tolyl ketone | DTXSID40345629 | HZTQMHOPSAEKFO-UHFFFAOYSA-N | HMS1440A07 | BDBM50562854 | CCG-5
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
1-(4-methylphenyl)-3-phenylprop-2-yn-1-one | 3-phenyl-1-(p-tolyl)prop-2-yn-1-one | 3-phenyl-1-p-Tolyl-propynone | Cyto5C3 | Maybridge3_003175 | Phenylethynyl p-tolyl ketone | DTXSID40345629 | HZTQMHOPSAEKFO-UHFFFAOYSA-N | HMS1440A07 | BDBM50562854 | CCG-5
Product Properties Names and Identifiers Canonical Smiles CC1=CC=C(C=C1)C(=O)C#CC2=CC=CC=C2 IUPAC Name 1-(4-methylphenyl)-3-phenylprop-2-yn-1-one InChIKey HZTQMHOPSAEKFO-UHFFFAOYSA-N INCHI 1S/C16H12O/c1-13-7-10-15(11-8-13)16(17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,1H3 Isomeric SMILES CC1=CC=C(C=C1)C(=O)C#CC2=CC=CC=C2 PubChem CID 605962 Molecular Weight 220.26
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 Linear 1,3-diarylpropanoids Subclass Not available Intermediate Tree Nodes Not available Direct Parent Linear 1,3-diarylpropanoids Alternative Parents Benzoyl derivatives Aryl ketones Toluenes Alpha,beta-unsaturated ketones Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Linear 1,3-diarylpropanoid - Aryl ketone - Benzoyl - Toluene - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together. 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 Molecular Weight 220.260 g/mol XLogP3 4.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 2 Exact Mass 220.089 Da Monoisotopic Mass 220.089 Da Topological Polar Surface Area 17.100 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 316.000 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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