Toxicokinetics and Metabolism of 3‑Monochloropropane 1,2-Diol Dipalmitate in Sprague Dawley Rats

• Published in: Journal of agricultural and food chemistry Vol. 66; no. 44; pp. 11672 - 11680
• Main Authors: Huang, Guoren, Gao, Boyan, Xue, Jinli, Cheng, Zhihong, Sun, Xiangjun, Zhang, Yaqiong, Yu, Liangli Lucy
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 07.11.2018
• Subjects: absorption, distribution, metabolism, and excretion (ADME); toxicokinetics; UPLC-MS; 3-MCPD dipalmitate
• ISSN: 0021-8561; 1520-5118
• DOI: 10.1021/acs.jafc.8b05422

Fatty acid esters of 3-monochloropropane 1,2-diol (3-MCPD) are a group of processing-induced toxicants. To better clarify their possible toxicological effects and mechanisms, it is important to investigate their absorption, distribution, metabolism, and excretion. In this study, the kinetic parameters of 3-MCPD dipalmitate in Sprague Dawley (SD) rat plasma were determined using ultraperformance liquid chromatography–triple quadrupole mass spectrometry. 3-MCPD dipalmitate was absorbed in rats with a C max of 135.00 ng/mL, a T 1/2 of 3.87 h, a T max of 2.5 h, an MRT of 5.08 h, a CL of 3.50 L/h/g, a V d of 21.34 L/g, and an AUC0–∞ of 458.47 h·ng/mL. A total of 17 metabolites were identified, and 16 of them were reported for the first time. Furthermore, these metabolites were examined for their presences in the liver, kidney, testis, brain, spleen, thymus, intestine, plasma, feces, and urine samples 2, 6, 12, 24, and 48 h after oral administration of 3-MCPD dipalmitate using Metabolynx software.