Oxidation Mechanism and Toxicity Evolution of Linalool, a Typical Indoor Volatile Chemical Product.

ABSTRACT: Linalool, a high-reactivity volatile chemical product (VCP) commonly found in cleaning products and disinfectants, is increasingly recognized as an emerging contaminant, especially in indoor air. Understanding the gas-phase oxidation mechanism of linalool is crucial for assessing its impact on atmospheric chemistry and human health. Using quantum chemical calculations and computational toxicology simulations, we investigated the atmospheric transformation and toxicity evolution of linalool under low and high NO/HO₂· levels, representing indoor and outdoor environments. Our findings reveal that linalool can undergo the novel mechanisms involving concerted peroxy (RO₂·) and alkoxy radical (RO·) modulated autoxidation, particularly emphasizing the importance of cyclizati

SUBMITTER: Fu Z 

PROVIDER: S-EPMC11264274 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature