pKa and Skin Irritation
This module allows students to explore the link between pKa and skin irritation. pKa appears highly predictive of acute skin irritation for acids and bases in man.
Toxicity testing of chemical mixtures are extremely important for avoiding regrettable substitution, however, they are very expensive and can take a long time to perform. Research has developed computational modeling tools for pKa determination, with some report correlations as high as 0.90 for toxicity experiments (Voutchkova et al. 2012). The pKa of a chemical can be a promising indicator of penetration for human skin in vitro and correlate with erythema, edema, and color meter readings.