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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Ethylhexanoic acid - for synthesis , CAS No.149-57-5
GRADE & PURITY for Synthesis ? Synthesis grade — practical purity for chemical synthesis and preparative work. Use as a cost-effective reagent when analytical purity isn't required. Synonyms
2 ETHYL HEXANOIC ACID | EN300-20410 | NCGC00258957-01 | 2-Ethyl-1-hexanoic acid | BRN 1750468 | Hexanoic acid, 2-ethyl-, (-)- | HMS2267F21 | alpha-ethyl caproic acid | Tox21_300108 | Ethyl hexanoic acid | Ethylhexanoic acid | F0001-0703 | Kyselina heptan-
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Why this grade for synthesis for Synthesis 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 29 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
2 ETHYL HEXANOIC ACID | EN300-20410 | NCGC00258957-01 | 2-Ethyl-1-hexanoic acid | BRN 1750468 | Hexanoic acid, 2-ethyl-, (-)- | HMS2267F21 | alpha-ethyl caproic acid | Tox21_300108 | Ethyl hexanoic acid | Ethylhexanoic acid | F0001-0703 | Kyselina heptan-
Specifications & Purity
for synthesis
Names and Identifiers Canonical Smiles
CCCCC(CC)C(=O)O
IUPAC Name
2-ethylhexanoic acid
InChIKey
OBETXYAYXDNJHR-UHFFFAOYSA-N
INCHI
1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
Isomeric SMILES
CCCCC(CC)C(=O)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721433&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 acids and conjugates Intermediate Tree Nodes Not available Direct Parent Medium-chain fatty acids Alternative Parents Branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Medium-chain fatty acid - Branched fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - 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 medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. External Descriptors Branched fatty acids 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(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility 1.4g/L Refractive Index 1.424-1.426 Flash Point(°F) 237.2 °F Flash Point(°C) 114℃ Boil Point(°C) 228°C Melt Point(°C) -59°C Molecular Weight 144.210 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 5 Exact Mass 144.115 Da Monoisotopic Mass 144.115 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 99.400 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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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.
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