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EC number: 201-783-3 | CAS number: 87-91-2
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
Description of key information
QSAR, iSafeRat holistic approach v1.5, key study, validity 2:
48h-EC50 (Daphnia magna) = 368 mg/L (95% CL: 139 - 972 mg/L).
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 368 mg/L
Additional information
To assess the short-term toxicity of the registered substance to aquatic invertebrates, one data point is available.
This value (KREATiS, 2015), assessed as a key datapoint, is a QSAR. This QSAR prediction (iSafeRat holistic approach v1.5) was performed on the registered substance, to assess the acute toxicity to daphnids of the substance and was also used to predict the toxicity to algae. As the toxicity prediction result for algae is comparable and more conservative than the in vivo result for algae, and as the model uses a holistic approach for toxicity determination, this QSAR can be considered fit for purpose for estimating the short-term toxicity to aquatic invertebrates endpoint, in a conservative way.
The QSAR has been validated to be compliant with the OECD recommendations for QSAR modelling (OECD, 2004) and predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following OECD Guideline 202. The acute toxicity of the substance to daphnid was determined using a validated QSAR for the Mode of Action in question (ester). This QSAR is based on validated data for a training set of 12 chemicals derived from 48-hour EC50 tests on daphnids, for which the concentrations of the test substance had been determined by chemical analyses over the test period. The water solubility of the substance given as input was predicted using the iSafeRat solubility module (1,41.10^6 mg/L).The substance falls within the applicability domain of the model. The 48-h EC50 value based on mobility and measured concentrations was determined to be 368 mg/L (95%-Confidence Limit: 139 - 972 mg/L).
In conclusion, as the same QSAR model was validated for the "toxicity to aquatic algae" endpoint with an experimental study and the results from this prediction was observed to be conservative compared to those obtained from the experimental study, this result can be used for the "short-term toxicity to aquatic invertebrates" endpoint. Therefore, the 48h-EC50 value on daphnid was considered to be 368 mg/L (95% CL: 139 - 972 mg/L).
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