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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Allyl heptanoate - ≥98% , CAS No.142-19-8
Synonyms
NSC 20969 | Allyl heptanoate (natural) | MFCD00038341 | Allylester kyseliny enanthove | HEPTANOIC ACID, ALLYL ESTER | AU4CYG9V68 | DTXSID3044754 | SCHEMBL20820 | FEMA No. 2031 | Heptanoic Acid Allyl Ester | Heptanoic acid, 2-propen-1-yl ester | WLN: 6VO2U
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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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
NSC 20969 | Allyl heptanoate (natural) | MFCD00038341 | Allylester kyseliny enanthove | HEPTANOIC ACID, ALLYL ESTER | AU4CYG9V68 | DTXSID3044754 | SCHEMBL20820 | FEMA No. 2031 | Heptanoic Acid Allyl Ester | Heptanoic acid, 2-propen-1-yl ester | WLN: 6VO2U
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180897
Sonrisas canónicas
CCCCCCC(=O)OCC=C
IUPAC Name
prop-2-enyl heptanoate
InChIKey
SJWKGDGUQTWDRV-UHFFFAOYSA-N
INCHI
1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3
Isómeros SMILES
CCCCCCC(=O)OCC=C
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8544440&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 esters Alternative Parents Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Fatty acid ester - 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 esters. These are carboxylic ester derivatives of a fatty acid. 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 Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Soluble in Methanol Índice de refracción 1.428 Punto de inflamación (°C) 82°C Punto de ebullición (°C) 210°C Punto de fusión (°C) -66°C Peso molecular 170.250 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 8 Exact Mass 170.131 Da Monoisotopic Mass 170.131 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 130.000 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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