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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 3-acetylbenzoate - ≥98% , CAS No.21860-07-1
Synonyms
J-014318 | methyl-3-acetylbenzoate | methyl3-acetylbenzoate | SY015219 | NCNUIUIDKJSGDM-UHFFFAOYSA-N | WAA86007 | Benzoic acid, 3-acetyl-, methyl ester | MFCD09475799 | FT-0744017 | DTXSID10919674 | Methyl 3-acetylbenzenecarboxylate | methyl 3-acetylbenzo
Storage
Store at 2-8°C,Desiccated
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Desiccated Ships Wet ice 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
J-014318 | methyl-3-acetylbenzoate | methyl3-acetylbenzoate | SY015219 | NCNUIUIDKJSGDM-UHFFFAOYSA-N | WAA86007 | Benzoic acid, 3-acetyl-, methyl ester | MFCD09475799 | FT-0744017 | DTXSID10919674 | Methyl 3-acetylbenzenecarboxylate | methyl 3-acetylbenzo
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC(=O)C1=CC(=CC=C1)C(=O)OC IUPAC Name methyl 3-acetylbenzoate InChIKey NCNUIUIDKJSGDM-UHFFFAOYSA-N INCHI 1S/C10H10O3/c1-7(11)8-4-3-5-9(6-8)10(12)13-2/h3-6H,1-2H3 Isomeric SMILES CC(=O)C1=CC(=CC=C1)C(=O)OC Molecular Weight 178.19 Reaxy-Rn 2641517 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2641517&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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Benzoic acid esters Acetophenones Benzoyl derivatives Aryl alkyl ketones Methyl esters Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Benzoate ester - Benzoic acid or derivatives - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 178.180 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 178.063 Da Monoisotopic Mass 178.063 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 210.000 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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