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CAS 21085-60-9

Calcium Mesoxalate Trihydrate TCI O0076

Calcium Mesoxalate Trihydrate TCI O0076

Chemical Identity

CAS No.
21085-60-9
PubChem
CID 44630414·SID 87574088
Formula
C3H2CaO6
Molecular weight
174.12 g/mol
Purity
>98.0%(T)
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
calcium 2,2-dihydroxypropanedioate
SMILES
C(=O)(C(C(=O)[O-])(O)O)[O-].[Ca+2]
InChIKey
XDYFLIAWYWUSMI-UHFFFAOYSA-L
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Calcium Mesoxalate Trihydrate from TCI is the calcium salt of mesoxalic acid, also known as ketomalonic acid. It is supplied as a trihydrate, which means water molecules are bound within its crystal structure. In the laboratory, this material is a practical and relatively stable source of the mesoxalate anion. Researchers use it in organic synthesis, in coordination chemistry studies, and in biochemical research on oxygenated dicarboxylic compounds. Because it is a salt, it is easier to store and handle than the free acid, so it is a convenient choice for routine bench work.

Researchers choose this material mainly for its unusual structure. A single central carbon atom carries a carbonyl group, and two carboxylate groups sit on either side of it. This arrangement makes the carbonyl centre of mesoxalate strongly electrophilic, so in water the compound tends to exist in its hydrated gem-diol form. As a calcium salt, it is a solid that can be weighed accurately for precise stoichiometric work. The calcium ion is also useful in studies of metal complex formation and in crystallography. TCI's product purity and consistency help researchers get reproducible data across experiments.

In Indonesia, Calcium Mesoxalate Trihydrate suits inorganic and organic chemistry laboratories in universities and research institutions. Research groups studying coordination compounds, metal–ligand interactions, and crystal structures can use it as a well-defined starting material. Synthetic chemists can use it as a building block when they need a mesoxalate unit in a target molecule. Biochemistry teams working with oxygenated dicarboxylic acids can also use it as a reference or substrate in their research.

  • Organic synthesis: the salt is a convenient, relatively stable source of the mesoxalate anion, so chemists can add a ketomalonate unit without handling the less stable free acid.
  • Coordination chemistry studies: two carboxylate groups plus a central carbonyl give several possible binding sites, which makes it a useful ligand source for studying how metal complexes form.
  • Crystallography research: as a crystalline trihydrate with bound water and calcium ions, it helps researchers study hydrated salt structures and metal–carboxylate coordination in the solid state.
  • Biochemical research on oxygenated dicarboxylic compounds: its ketomalonate backbone relates to biologically relevant dicarboxylic acids, so it works as a model compound or substrate.
  • Studies of carbonyl hydration and electrophilicity: its strongly electrophilic central carbonyl readily forms a gem-diol in water, which makes it a clear example for studying hydration equilibria.

Brand TCI (product code O0076)
CAS number 21085-60-9
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes see the product page for the pack sizes currently available
Physical form solid (crystalline trihydrate salt)
Storage keep tightly closed in a cool, dry place and follow the manufacturer's label and Safety Data Sheet

Store Calcium Mesoxalate Trihydrate in its original, tightly sealed container in a cool, dry, well-ventilated area, away from direct sunlight and heat. Because the product is a hydrate, protect it from excess moisture and large temperature changes, which could change its water content and affect weighing accuracy. Keep it away from incompatible substances such as strong oxidizing agents. When handling it, use standard laboratory personal protective equipment, including safety glasses, gloves, and a lab coat. Avoid creating or breathing in dust, and weigh it in a well-ventilated area or under local exhaust. Wash your hands after handling it. Always read the manufacturer's Safety Data Sheet before use, and dispose of waste according to local regulations.

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