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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl hexanoate - Standard for GC, ≥99%(GC) , CAS No.123-66-0
GRADE & PURITY Standard for GC ? GC reference standard — characterized compound for calibrating GC methods. Use to build calibration curves and verify GC quantitation. ≥99%(GC) Synonyms
ETHYL CAPROATE [MI] | Ethyl n-hexanoat | n-Caproic acid ethyl ester | Caproic acid ethyl ester, Ethyl caproate | FEMA No. 2439 | UNII-FLO6YR1SHT | Ethyl hexanoate, >=98%, FCC, FG | Hexanoic acid, ethyl ester | Ethyl hexanoate, natural, >=98%, FCC, FG | To
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Why this grade Standard for GC, ≥99%(GC) Standard for GC for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships FedEx DG Service 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 66 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
ETHYL CAPROATE [MI] | Ethyl n-hexanoat | n-Caproic acid ethyl ester | Caproic acid ethyl ester, Ethyl caproate | FEMA No. 2439 | UNII-FLO6YR1SHT | Ethyl hexanoate, >=98%, FCC, FG | Hexanoic acid, ethyl ester | Ethyl hexanoate, natural, >=98%, FCC, FG | To
Specifications & Purity
Standard for GC, ≥99%(GC)
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Names and Identifiers Canonical Smiles
CCCCCC(=O)OCC
IUPAC Name
ethyl hexanoate
InChIKey
SHZIWNPUGXLXDT-UHFFFAOYSA-N
INCHI
1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
Isomeric SMILES
CCCCCC(=O)OCC
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1701293&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 a small molecule 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 x_refractive_index 1.406-1.409 x_flash_point_drop_centigrade 53℃ x_boil_point_char 166-167°C x_melt_point_char -67.5°C Molecular Weight 144.210 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 6 Exact Mass 144.115 Da Monoisotopic Mass 144.115 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 89.300 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
FAQs and Articles Citations of This Product Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Standard for GC grade guide →
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