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· · COA & SDS available for every product · Same-day shipping on in-stock items 5-Benzoylpentanoic Acid - ≥98% , CAS No.4144-62-1
Synonyms
6-Oxidanylidene-6-Phenyl-Hexanoic Acid | delta-Benzoylvaleric acid | SCHEMBL517169 | DTXSID40194356 | AKOS005203038 | NSC 11351 | 5-Benzoylpentanoic acid, 97% | D86448 | 5-Benzoylpentanoic acid | EN300-43086 | 6-Oxo-6-phenylhexanoic acid | 6-oxo-6-phenyl-
Storage
Argon charged,Room temperature
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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
6-Oxidanylidene-6-Phenyl-Hexanoic Acid | delta-Benzoylvaleric acid | SCHEMBL517169 | DTXSID40194356 | AKOS005203038 | NSC 11351 | 5-Benzoylpentanoic acid, 97% | D86448 | 5-Benzoylpentanoic acid | EN300-43086 | 6-Oxo-6-phenylhexanoic acid | 6-oxo-6-phenyl-
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Names and Identifiers Pubchem Sid 488188732 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488188732 Canonical Smiles C1=CC=C(C=C1)C(=O)CCCCC(=O)O IUPAC Name 6-oxo-6-phenylhexanoic acid InChIKey AIEMSTCGCMIJTI-UHFFFAOYSA-N INCHI 1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15) Isomeric SMILES C1=CC=C(C=C1)C(=O)CCCCC(=O)O WGK Germany 3 Molecular Weight 206.24 Beilstein 10(4)2797 Reaxy-Rn 1961325 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1961325&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 Medium-chain 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 - Medium-chain keto acid - Aryl alkyl ketone - Benzoyl - Benzenoid - 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 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 Sensitivity Moisture sensitive Melt Point(°C) 77 °C Molecular Weight 206.240 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 6 Exact Mass 206.094 Da Monoisotopic Mass 206.094 Da Topological Polar Surface Area 54.400 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 217.000 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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