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· · COA & SDS available for every product · 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 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
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 504753447 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504753447 Canonical Smiles 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 Isomeric SMILES CCCCCC(=O)OCC=C WGK Germany 2 RTECS MO6125000 UN Number 2810 Molecular Weight 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 Class 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 Description 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.
3D Structure Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Insoluble in water; Soluble in Ether,Alcohol Refractive Index 1.424 Flash Point(°F) 150.8 °F Flash Point(°C) 66°C Boil Point(°C) 75-76°C Molecular Weight 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 References 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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