n-Butyl 4-Hydroxybenzoate-2,3,5,6-d4

• CAT Number: C000838
• CAS Number: 1219798-67-0
• Molecular Formula: C₁₁H₁₀D₄O₃
• Molecular Weight: 198.25
• Purity: ≥95%
• Synonyms: Butylparaben-d4
• Solubility: DMSO (Slightly), Methanol (Slightly)
• Appearance: White to Off-White Solid
• Storage: 4°C
• IUPAC Name: butyl 2,3,5,6-tetradeuterio-4-hydroxybenzoate
• InChI: InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3/i4D,5D,6D,7D
• InChIKey: QFOHBWFCKVYLES-UGWFXTGHSA-N
• SMILES: CCCCOC(=O)C1=CC=C(C=C1)O

n-Butyl 4-Hydroxybenzoate-2,3,5,6-d4 (Cat No.:C000838) is a deuterium-labeled derivative of n-butyl 4-hydroxybenzoate, commonly known as butylparaben, an ester used as a preservative in various cosmetic and personal care products. The “2,3,5,6-d4” notation indicates that four hydrogen atoms in the molecule are replaced with deuterium, a stable isotope of hydrogen. This labeling enables precise isotope tracing in research and analytical applications. n-Butyl 4-Hydroxybenzoate-2,3,5,6-d4 serves as a valuable tool in studying the fate, metabolism, and distribution of butylparaben in cosmetic formulations and the human body, contributing to safety and regulatory assessments.

Reference

Gilliland, D., et al.: J. Appl. Bacteriol., 72, 258 (1992), Routledge, E., et al.: Toxicol. Appl. Pharmacol., 153, 12 (1998), Miller, C., et al.: J. Biol. Chem., 272, 32824 (1997), Nakagawa, Y., et al.: Biochem. Pharmacol., 55, 1907 (1998),