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· · COA & SDS available for every product · Same-day shipping on in-stock items Dimethyl Isopropylmalonate - ≥97% , CAS No.51122-91-9
Synonyms
DTXSID40342613 | Dimethyl .alpha.-isopropyl malonate | InChI=1/C8H14O4/c1-5(2)6(7(9)11-3)8(10)12-4/h5-6H,1-4H | Dimethyl 2-propan-2-ylpropanedioate | 2-Isopropylmalonic acid dimethyl ester | A871369 | Dimethyl 2-isopropylmalonate # | DimethylIsopropylmalo
Storage
Room temperature,Desiccated
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Desiccated 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
DTXSID40342613 | Dimethyl .alpha.-isopropyl malonate | InChI=1/C8H14O4/c1-5(2)6(7(9)11-3)8(10)12-4/h5-6H, 1-4H | Dimethyl 2-propan-2-ylpropanedioate | 2-Isopropylmalonic acid dimethyl ester | A871369 | Dimethyl 2-isopropylmalonate # | DimethylIsopropylmalo
Specifications & Purity
≥97%
Storage
Room temperature, Desiccated
Names and Identifiers Canonical Smiles CC(C)C(C(=O)OC)C(=O)OC IUPAC Name dimethyl 2-propan-2-ylpropanedioate InChIKey HVNFMZHHKRLLNH-UHFFFAOYSA-N INCHI 1S/C8H14O4/c1-5(2)6(7(9)11-3)8(10)12-4/h5-6H,1-4H3 Isomeric SMILES CC(C)C(C(=O)OC)C(=O)OC Molecular Weight 174.19 Reaxy-Rn 1770674 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1770674&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 Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Methyl esters Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Fatty acid ester - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 174.190 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 174.089 Da Monoisotopic Mass 174.089 Da Topological Polar Surface Area 52.600 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 158.000 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
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