Toxicology is more precisely the study of adverse effects on living organisms from exposure to chemicals, drugs, or biological agents. Acute toxicity describes the adverse effects arising from a single or short‐term exposure to a chemical. Quantitative structure activity relationships in silico toxicology is one type of toxicity assessment that uses computational methods to analyze, simulate, visualize, or predict the toxicity of chemicals. The chapter aims to evaluate the toxicity of caprolactam chemistries including monomer and polymer molecules. The toxicity of caprolactam and vinylcaprolactam has been summarized by numerous human health and environmental agencies worldwide. Caprolactam and vinylcaprolactam are high production lactams of aminocaproic acid. Caprolactam was tested in the NTP Carcinogenesis Testing Program using rats and mice. In humans, irritation of the skin and the mucous membranes were reported for caprolactam. Acute exposure to caprolactams may result in irritation and burning of the eyes, nose, throat, and skin in humans.

This chapter aims to summarize and communicate the best available information to enable assessments of human health hazard, exposure, and risks that are associated with pyrrolidone chemistries in their intended applications. The pyrrolidone family of chemicals are high‐production derivatives of oxo‐pyrrolidines. The pyrrolidone family of chemicals include 2‐pyrrolidone, N‐methyl pyrrolidone (NMP), N‐vinyl pyrrolidone, lauryl pyrrolidone, N‐octyl pyrrolidone, and hydroxy ethyl pyrrolidone. The toxicity of pyrrolidone chemistries has been reviewed and assessed by numerous human health and environmental agencies worldwide. Pyrrolidone‐based polymers are versatile ingredients used in the cosmetics and beauty industry as a binder, film former, emulsion stabilizer, suspending/viscosity increasing agent, and hair fixative. A number of chronic studies have been conducted to determine the carcinogenic potential of polyvinylpyrrolidone. Consumer exposure to NMP can occur via the use of paint strippers. NMP is readily biodegradable and should be degraded within the wastewater treatment process.