Ethyl-d5 2-Methylbutyrate

• CAT Number: R062989
• CAS Number: 1082581-95-0
• Molecular Formula: C7H14O2
• Molecular Weight: 135.218
• Purity: ≥95%
• Synonyms: 2-Methylbutanoic Acid Ethyl-1,1,2,2,2-d5 Ester; 2-Methylbutyric Acid Ethyl-d5 Ester; (±)-Ethyl-d5 2-Methylbutanoate; Ethyl-d5 2-Methylbutanoate; Ethyl-d5 α-methylbutyrate; NSC 1103
• Storage: -20°C
• IUPAC Name: 1,1,2,2,2-pentadeuterioethyl 2-methylbutanoate
• InChI: InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3/i2D3,5D2
• InChIKey: HCRBXQFHJMCTLF-ZTIZGVCASA-N
• SMILES: [2H]C([2H])([2H])C([2H])([2H])OC(=O)C(C)CC

Ethyl-d5 2-methylbutyrate is a deuterated ester used in analytical chemistry and metabolic studies. As a deuterated analog of ethyl 2-methylbutyrate, it incorporates five deuterium atoms, which enhances its utility in mass spectrometry by providing more precise molecular weight measurements and reducing spectral overlap. This compound is commonly employed in research to study metabolic pathways, evaluate drug metabolism, and trace the fate of ester-based compounds in biological systems. Its application is particularly valuable in organic chemistry and pharmaceutical research for accurate metabolic profiling and pharmacokinetic studies.