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· · COA & SDS Disponible para cada producto · Envío el mismo día para artículos en stock Calcium levulinate dihydrate - ≥98% , CAS No.591-64-0
Synonyms
CALCIUM LEVULINATE (1:2) | SCHEMBL116039 | Calcium levulinate dihydrate | Laevucalcin | Levulinic Acid Calcium Salt | calcium;4-oxopentanoate | Flanthin | Levulinic acid, calcium salt | MFCD00045959 | calcium 4-oxidanylidenepentanoate | CALCIUM LEVULINATE
Storage
Room temperature,Argon charged
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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,Argon charged 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 Sinónimos
CALCIUM LEVULINATE (1:2) | SCHEMBL116039 | Calcium levulinate dihydrate | Laevucalcin | Levulinic Acid Calcium Salt | calcium;4-oxopentanoate | Flanthin | Levulinic acid, calcium salt | MFCD00045959 | calcium 4-oxidanylidenepentanoate | CALCIUM LEVULINATE
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature,Argon charged
Nombres e identificadores Sonrisas canónicas
CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Ca+2]
IUPAC Name
calcium;4-oxopentanoate
InChIKey
APKDPOQXVKRLEP-UHFFFAOYSA-L
INCHI
1S/2C5H8O3.Ca/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2
Isómeros SMILES
CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Ca+2]
CAS alternativo
5743-49-7
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6301318&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 Organic acids and derivatives Clase Keto acids and derivatives Subclass Gamma-keto acids and derivatives Intermediate Tree Nodes Not available Direct Parent Gamma-keto acids and derivatives Alternative Parents Short-chain keto acids and derivatives Ketones Carboxylic acid salts Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Not available Substituents Gamma-keto acid - Short-chain keto acid - Ketone - Carboxylic acid salt - Organic calcium salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound Descripción This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom. External Descriptors organic molecular entity 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 270.290 g/mol XLogP3 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 270.042 Da Monoisotopic Mass 270.042 Da Topological Polar Surface Area 114.000 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 101.000 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 3
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