2-tert-Butyl-4-hydroxyanisole-d3

2-tert-Butyl-4-hydroxyanisole-d3, also known as BHA-d3, is a deuterated variant of 2-tert-Butyl-4-hydroxyanisole (BHA), a widely used antioxidant in food, cosmetics, and pharmaceutical products. The compound is synthesized by replacing some of the hydrogen atoms in BHA with deuterium atoms, resulting in a heavier molecule with a slightly different chemical behavior. BHA-d3 is used as an internal standard in analytical chemistry and pharmacology to quantify the amount of BHA and its metabolites in biological samples. By adding a known amount of BHA-d3 to the sample before analysis, researchers can accurately measure the concentration of BHA and distinguish it from other similar compounds. This is particularly important for assessing the safety and efficacy of BHA in human and animal studies, as excessive exposure to BHA has been associated with potential health risks such as cancer, reproductive toxicity, and allergic reactions. Chemically, BHA-d3 has a molecular formula of C11H15DO2 and a molecular weight of 187.24 g/mol. Its structure consists of a tert-butyl group, a hydroxyanisole moiety, and three deuterium atoms. BHA-d3 is a white to light yellow crystalline powder that is soluble in organic solvents such as ethanol, methanol, and chloroform. Its melting point is around 69-73°C, and its boiling point is around 286-288°C. BHA-d3 is stable under normal storage conditions and can be stored at room temperature for several years without significant degradation.