As new pesticides are continuously introduced into agricultural
systems, it is essential to investigate their environmental behavior
and toxicity effects to better evaluate their potential risks. In
this study, the degradation kinetics, pathways, and aquatic toxicity
of the new fused heterocyclic insecticide pyraquinil in water under
different conditions were investigated for the first time. Pyraquinil
was classified as an easily degradable pesticide in natural water,
and hydrolyzes faster in alkaline conditions and at higher temperatures.
The formation trends of the main transformation products (TPs) of
pyraquinil were also quantified. Fifteen TPs were identified in water
using ultrahigh-performance liquid chromatography coupled to quadrupole
Orbitrap high-resolution mass spectrometry (UHPLC-Orbitrap-HRMS) and
Compound Discoverer software, which adopted suspect and nontarget
screening strategies. Among them, twelve TPs were reported for the
first time and 11 TPs were confirmed by synthesis of their standards.
The proposed degradation pathways have demonstrated that the 4,5-dihydropyrazolo[1,5-a]quinazoline skeleton of pyraquinil is stable enough to
retain in its TPs. ECOSAR prediction and laboratory tests showed that
pyraquinil was “very toxic” or “toxic”
to aquatic organisms, while the toxicities of all of the TPs are substantially
lower than that of pyraquinil except for TP484, which was predicted
to pose a higher toxicity. The results are important for elucidating
the fate and assessing the environmental risks of pyraquinil, and
provide guidance for scientific and reasonable use.