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CAS 95927-02-9

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Butanoic-2,2-d2 acid,3-methyl- (9CI)

Description:
Butanoic-2,2-d2 acid,3-methyl- (9CI), with the CAS number 95927-02-9, is a deuterated derivative of butanoic acid, which is a four-carbon straight-chain carboxylic acid. The presence of deuterium (D) at the 2,2-positions indicates that two hydrogen atoms have been replaced by deuterium, making it useful in various applications, particularly in NMR spectroscopy and studies involving isotopic labeling. The additional methyl group at the 3-position introduces branching, affecting its physical and chemical properties, such as boiling point and solubility. As a carboxylic acid, it exhibits typical acidic behavior, capable of donating protons in solution. Its deuterated form can provide insights into reaction mechanisms and molecular dynamics due to the distinct NMR signals associated with deuterium. Overall, Butanoic-2,2-d2 acid,3-methyl- is a valuable compound in both synthetic organic chemistry and analytical applications, particularly in the study of metabolic pathways and reaction kinetics.
Formula:C5H8D2O2
InChI:InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i3D2
InChI key:GWYFCOCPABKNJV-SMZGMGDZSA-N
SMILES:[2H]C([2H])(C(C)C)C(=O)O
Synonyms:
  • 3-methyl(2,2-2H2)butanoic acid
  • Butanoic-2,2-D2 Acid, 3-Methyl-
  • 3-Methylbutyric-2,2-d2 Acid
Found 3 products.