Ethyl Caproate-d11

• CAT Number: R021020
• CAS Number: 2159-19-5
• Molecular Formula: C8H16O2
• Molecular Weight: 155.281
• Purity: ≥95%
• Synonyms: Hexanoic Acid Ethyl Ester-d11; Caproic Acid Ethyl Ester-d11; Ethyl Caproate-d11; Ethyl Capronate-d11; Ethyl Hexanoate-d11; NSC 8882-d11
• Storage: -20°C
• IUPAC Name: ethyl 2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexanoate
• InChI: InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3/i1D3,3D2,5D2,6D2,7D2
• InChIKey: SHZIWNPUGXLXDT-LELBNVJRSA-N
• SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC

Ethyl Caproate-d11 is a deuterium-labeled form of ethyl caproate, an ester used in flavorings and fragrances. The deuterium labeling at eleven positions enhances its application in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy, providing improved sensitivity and accuracy. This labeled compound is valuable for studying esterification reactions, analyzing ester behavior, and tracking molecular interactions. It is also used in the development and validation of analytical methods for quantifying esters and in research on flavor and fragrance chemistry, ensuring precise measurements and reliable data.