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EC number: 224-815-8
CAS number: 4501-58-0
ECOSAR v2.0 was used to predict short-term toxicity to aquatic invertebrates for 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde. 48h LC50 Daphnia of 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde was predicted as 1.77 mg/L using ECOSAR v2.0.
Leadscope model applier v3.0.0-30 was used to evaluate the short-term toxicity to aquatic invertebrates of 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde.
Based on Leadscope evaluation, the query chemical will be classified under Category III of GHS classification for short term toxicity to aquatic invertebrates.
Two QSAR models were applied to predict the short-term toxicity to aquatic invertebrates: a) ECOSAR which provided a quantitative result (the 48h LC50 value) and b) Leadscope which provided a qualitative result (GHS category based on 48h EC50 value).
ECOSAR: 1.77 mg/L (48h LC50 Daphnia)
Leadscope: Category III (GHS classification based on 48h EC50 Daphnia)
Combining the results from both models, worst case scenario between the two QSAR results was selected as the final result (results from ECOSAR).
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