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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Allyl hexanoate - ≥98% , CAS No.123-68-2
Synonyms
prop-2-en-1-yl hexanoate | ALLYL CAPROATE [INCI] | EINECS 204-642-4 | MFCD00038339 | UNII-3VH84A363D | Allyl hexanoate, >=98%, FCC, FG | 2-Propenyl n-hexanoate | Allyl n-hexanoate | Allyl hexanoate (natural) | Hexanoic Acid Allyl Ester | CHEBI:171771 | Al
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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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
prop-2-en-1-yl hexanoate | ALLYL CAPROATE [INCI] | EINECS 204-642-4 | MFCD00038339 | UNII-3VH84A363D | Allyl hexanoate, >=98%, FCC, FG | 2-Propenyl n-hexanoate | Allyl n-hexanoate | Allyl hexanoate (natural) | Hexanoic Acid Allyl Ester | CHEBI:171771 | Al
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504753447 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504753447 Sonrisas canónicas CCCCCC(=O)OCC=C IUPAC Name prop-2-enyl hexanoate InChIKey RCSBILYQLVXLJG-UHFFFAOYSA-N INCHI 1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 Isómeros SMILES CCCCCC(=O)OCC=C WGK Alemania 2 RTECS MO6125000 Número ONU 2810 Peso molecular 156.22 Beilstein 2(4)924 Reaxy-Rn 1761920 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761920&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 Insoluble in water; Soluble in Ether,Alcohol Índice de refracción 1.424 Punto de inflamación (°F) 150.8 °F Punto de inflamación (°C) 66°C Punto de ebullición (°C) 75-76°C Peso molecular 156.220 g/mol XLogP3 2.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 7 Exact Mass 156.115 Da Monoisotopic Mass 156.115 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 119.000 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
Citations of This Product Referencias 1. Baorong Chen, Xiaodan Wang, Yumeng Zhang, Wenyuan Zhang, Xiaoyang Pang, Shuwen Zhang, Jing Lu, Jiaping Lv. (2023) Determination and Risk Assessment of Flavor Components in Flavored Milk. Foods, 12 (11): (2151). [PMID:37297397 ] [10.3390/foods12112151 ] 2. Yuanfeng Pan, Futao Wang, Tengyou Wei, Chaolan Zhang, Huining Xiao. (2016) Hydrophobic modification of bagasse cellulose fibers with cationic latex: Adsorption kinetics and mechanism. CHEMICAL ENGINEERING JOURNAL, [PMID: [10.1016/j.cej.2016.05.022 ]
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