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Short-term toxicity to fish

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Reference
Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2016-10-13 to 2016-10-14
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Reason / purpose:
reference to same study
Reason / purpose:
reference to other study
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
Deviations:
yes
Remarks:
Calculation method
Qualifier:
equivalent or similar to
Guideline:
EU Method C.1 (Acute Toxicity for Fish)
Deviations:
yes
Remarks:
Calculation method
Principles of method if other than guideline:
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question (esters). The QSAR is based on validated data for a training set of 34 chemicals derived from 96-hour test on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period.
GLP compliance:
no
Analytical monitoring:
no
Details on sampling:
Not applicable
Vehicle:
no
Details on test solutions:
Not applicable
Test organisms (species):
other: Results from the following species were used in the regression: Danio rerio, Oncorhynchus mykiss, Lepomis macrochirus, Pimephales promelas, Oryzias latipes, Leuciscus idus
Details on test organisms:
Following the principles of Phase Equilibrium Thermodynamics, for narcotic substances, no difference in relationship between solubility and ecotoxicity between fish freshwater species is expected. Any observed differences may be attributed to lifestyle related parameters (e.g. relative differences in storage lipid content between species) and relative duration of study versus bodysize rather than to a specific toxic mechanism causing species differences. In this case, for esters, no differences were observed in activity based toxicity for the species used.
Test type:
other: QSAR
Water media type:
not specified
Limit test:
no
Total exposure duration:
96 h
Post exposure observation period:
Not applicable
Hardness:
No data
Test temperature:
The temperatures varied from approximately 14 to 25 °C depending on the fish species used to construct the algorithm. While it is recognized that this may
contribute to some extent to the variability of the LC50 values found in experimental data, KREATiS has not observed a clear trend suggesting that normalization to temperature would necessarily improve the algorithm (say for trout as opposed to warm water species) for monoconstituents. Nevertheless, this is a recognized area for further research by KREATiS.
pH:
Test results were taken from studies with measured pHs between 6.0 - 8.5.
Dissolved oxygen:
The dissolved oxygen concentration was more than 60% of the air-saturation value throughout the duration of the test. In exceptional cases where studies with oxygen concentrations lower than 60% were used, all aspects of the study were thoroughly evaluated in order to satisfy the evaluator that the effects found were not due to reduced oxygen concentration (i.e. the study would correctly receive a Klimisch score of 2 under the REACH Regulation [REACH, 2006])
Salinity:
No data
Conductivity:
No data
Details on test conditions:
Only results from a test duration of 96 hours were included. A variety of test designs were accepted: Preferentially results from a semi-static with daily renewal of test solutions and the control or from a flow-through test were used. However, for stable, low volatility substances a static design was accepted(preferably accompanied by analytical measurements over the study period). For suspected volatile substances only tests performed in closed vessels were accepted unless accompanying analytical monitoring proved such a design was not necessary.
Reference substance (positive control):
not required
Key result
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
6 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality
Remarks on result:
other:
Remarks:
95% CL: 5.1 - 7.1 mg/L
Details on results:
The predicated value is reliable since the test substance falls within the applicability domain of the model. The value of water solubility value of the test substance is within descriptor domain of the model between log water solubility (in log (mol/L)) of -4.79 to 1.69. Moreover the test substance is attributed to the class of ester compounds.
Results with reference substance (positive control):
Not applicable
Reported statistics and error estimates:
Not applicable

None

Validity criteria fulfilled:
yes
Conclusions:
Based on a QSAR model used to calculate the acute toxicity of test item NERYL ACETATE to fish, the predicted 96-hour LC50 is 6.0 mg test item/L.
Executive summary:

A QSAR model was used to calculate the acute toxicity of test item NERYL ACETATE to fish. This QSAR model has been validated to be compliant with the OECD recommendations for QSAR modeling (OECD, 2004) and predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following Guideline for Testing of Chemicals No. 203, "Fish Acute Toxicity Test", referenced as Method C.1 of Commission Regulation No. 440/2008. The criterion predicted was the LC50 (Median Lethal Concentration), a statistically derived concentration which is expected to cause mortality in 50% of test animals within a period of 96 hours.

The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question (esters). The QSAR is based on validated data for a training set of 34 chemicals derived from 96-hour test on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period.

The result hereafter is the toxicity value anticipated further to a 96-hour LC50 study on fish based on measured concentrations: The predicted 96-hour LC50 is 6.0 mg/L.

Description of key information

Based on a QSAR model used to calculate the acute toxicity of test item NERYL ACETATE to fish, the predicted 96-hour LC50 is 6.0 mg test item/L.

Key value for chemical safety assessment

LC50 for freshwater fish:
6 mg/L

Additional information

A QSAR model was used to calculate the acute toxicity of test item neryl acetate to fish. This QSAR model has been validated to be compliant with the OECD recommendations for QSAR modeling (OECD, 2004) and predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following Guideline for Testing of Chemicals No. 203, "Fish Acute Toxicity Test", referenced as Method C.1 of Commission Regulation No. 440/2008. The criterion predicted was the LC50 (Median Lethal Concentration), a statistically derived concentration which is expected to cause mortality in 50% of test animals within a period of 96 hours.

The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question (esters). The QSAR is based on validated data for a training set of 34 chemicals derived from 96-hour test on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period.

The result hereafter is the toxicity value anticipated further to a 96-hour LC50 study on fish based on measured concentrations: The predicted 96-hour LC50 is 6.0 mg/L.