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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Benzoylpropionic Acid - ≥98% , CAS No.2051-95-8
Synonyms
Propanoic acid, 3-benzoyl- | 3-Benzoylpropionic acid, | HMS1510O15 | 2-fluoro-phenol | AC-31093 | Benzenebutanoic acid, .gamma.-oxo- | NSC 2092 | AC-11220 | beta-Benzoylpropionic acid | beta-benzoyl-propionic acid | ChemDiv3_013347 | FT-0615089 | 3-Benzoy
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Why this grade ≥98% 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
Propanoic acid, 3-benzoyl- | 3-Benzoylpropionic acid, | HMS1510O15 | 2-fluoro-phenol | AC-31093 | Benzenebutanoic acid, .gamma.-oxo- | NSC 2092 | AC-11220 | beta-Benzoylpropionic acid | beta-benzoyl-propionic acid | ChemDiv3_013347 | FT-0615089 | 3-Benzoy
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488184727 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488184727 Canonical Smiles C1=CC=C(C=C1)C(=O)CCC(=O)O IUPAC Name 4-oxo-4-phenylbutanoic acid InChIKey KMQLIDDEQAJAGJ-UHFFFAOYSA-N INCHI 1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13) Isomeric SMILES C1=CC=C(C=C1)C(=O)CCC(=O)O WGK Germany 3 Molecular Weight 178.19 Beilstein 639757 Reaxy-Rn 639757 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=639757&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 Butyrophenones Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Butyrophenone - Aryl alkyl ketone - Gamma-keto acid - Benzoyl - Benzenoid - Keto acid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - 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 4-oxo monocarboxylic acid 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) 118 °C Molecular Weight 178.180 g/mol XLogP3 1.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 178.063 Da Monoisotopic Mass 178.063 Da Topological Polar Surface Area 54.400 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 192.000 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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