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· · COA & SDS available for every product · Same-day shipping on in-stock items Isovaleric acid - ≥99% , CAS No.503-74-2
Synonyms
ISOVALERIC ACID (MART.) | Isobutyl formic acid | 3,4-Diisovaleryl adrenaline | BCP32116 | b-Methylbutyric acid | CAS-503-74-2 | CHEBI:28484 | DELPHINIC-ACID | EN300-19718 | 3-Methylbutyric acid | 3-methyl-butyric acid | 3-Methylbutyric acid: isopropyl-Ace
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Why this grade ≥99% 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 199 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview An inhibitor of the synthesis of saturated acids
Specifications Synonyms
ISOVALERIC ACID (MART.) | Isobutyl formic acid | 3,4-Diisovaleryl adrenaline | BCP32116 | b-Methylbutyric acid | CAS-503-74-2 | CHEBI:28484 | DELPHINIC-ACID | EN300-19718 | 3-Methylbutyric acid | 3-methyl-butyric acid | 3-Methylbutyric acid: isopropyl-Ace
Specifications & Purity
≥99%
Names and Identifiers Canonical Smiles
CC(C)CC(=O)O
IUPAC Name
3-methylbutanoic acid
InChIKey
GWYFCOCPABKNJV-UHFFFAOYSA-N
INCHI
1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
Isomeric SMILES
CC(C)CC(=O)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098522&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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✅ 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.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Lipids and lipid-like molecules Class Fatty Acyls Subclass Fatty acids and conjugates Intermediate Tree Nodes Branched fatty acids Direct Parent Methyl-branched fatty acids Alternative Parents Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Methyl-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 methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. 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(non-human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in water (41 mg/ml at 20 °C), ether, chloroform, alcohols, and methanol (partially). Sensitivity Heat sensitive Refractive Index 1.399-1.407 Flash Point(°F) 70℃ Flash Point(°C) 70℃ Boil Point(°C) 176°C Melt Point(°C) -35°C Molecular Weight 102.130 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 102.068 Da Monoisotopic Mass 102.068 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 7 Formal Charge 0 Complexity 66.500 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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