CAS 118659-62-4

1,1′,1′′-[Methylidyne-13C-tris(oxy)]tris[ethane]

Description:

1,1′,1′′-[Methylidyne-13C-tris(oxy)]tris[ethane], identified by its CAS number 118659-62-4, is a chemical compound characterized by its unique structural features. This substance contains a central carbon atom bonded to three ethane groups, each of which is further substituted with hydroxyl (–OH) groups, indicating its potential as a polyol. The presence of the 13C isotope suggests that it is used in studies involving isotopic labeling, which can be beneficial in tracing chemical pathways or understanding metabolic processes. The compound's structure implies it may exhibit properties typical of alcohols, such as solubility in polar solvents and the ability to participate in hydrogen bonding. Additionally, the presence of multiple hydroxyl groups may enhance its reactivity, making it suitable for various chemical reactions, including esterification or etherification. Overall, this compound's unique isotopic labeling and functional groups position it as a valuable tool in both synthetic chemistry and analytical applications.

Formula: C₇H₁₆O₃

InChI: InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3/i7+1

InChI key: InChIKey=GKASDNZWUGIAMG-CDYZYAPPSA-N

SMILES: [13CH](OCC)(OCC)OCC

Synonyms:

• Ethane, 1,1′,1′′-[methylidyne-13C-tris(oxy)]tris-
• Orthoformic-13C acid, triethyl ester
• 1,1′,1′′-[Methylidyne-13C-tris(oxy)]tris[ethane]