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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 6-oxoheptanoate - ≥97% , CAS No.2046-21-1
Synonyms
Methyl 6-oxoheptanoate|2046-21-1|Heptanoic acid, 6-oxo-, methyl ester|6-oxo-heptanoic acid methyl ester|MFCD22376711|Methyl6-Oxoheptanoate|Methyl 6-oxo-heptanoate|Methyl 6-oxoheptanoate, 95%|SCHEMBL1706595|DTXSID40302070|5-Acetylvaleric acid, methyl ester
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged 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 Sinónimos
Methyl 6-oxoheptanoate | 2046-21-1 | Heptanoic acid, 6-oxo-, methyl ester | 6-oxo-heptanoic acid methyl ester | MFCD22376711 | Methyl6-Oxoheptanoate | Methyl 6-oxo-heptanoate | Methyl 6-oxoheptanoate, 95% | SCHEMBL1706595 | DTXSID40302070 | 5-Acetylvaleric acid, methyl ester
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
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Nombres e identificadores Pubchem Sid 504758321 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504758321 Sonrisas canónicas CC(=O)CCCCC(=O)OC IUPAC Name methyl 6-oxoheptanoate InChIKey BSBYQAYWPXHLPQ-UHFFFAOYSA-N INCHI 1S/C8H14O3/c1-7(9)5-3-4-6-8(10)11-2/h3-6H2,1-2H3 Isómeros SMILES CC(=O)CCCCC(=O)OC Peso molecular 158.195 Reaxy-Rn 1762626 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1762626&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 Lipids and lipid-like molecules Clase Fatty Acyls Subclass Fatty acid esters Intermediate Tree Nodes Not available Direct Parent Fatty acid methyl esters Alternative Parents Methyl esters Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Fatty acid methyl ester - Methyl ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound Descripción This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Índice de refracción 1.421 Punto de inflamación (°C) 91.9ºC Punto de ebullición (°C) 227.3ºC at 760mmHg Peso molecular 158.190 g/mol XLogP3 0.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 6 Exact Mass 158.094 Da Monoisotopic Mass 158.094 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 140.000 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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