The primary toxic constituents of tea tree oil are terpinen-4-ol, 1,8-cineole, and alpha-terpineol. These components are responsible for its antimicrobial properties but can also contribute to its toxicity, especially when ingested or improperly diluted. Terpinen-4-ol is the most abundant and active compound, while 1,8-cineole is often associated with skin irritation.