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Toxicity to aquatic algae and cyanobacteria

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Endpoint:
toxicity to aquatic algae and cyanobacteria
Type of information:
(Q)SAR
Remarks:
ECOSAR v2.00 (Aliphatic amines)
Adequacy of study:
weight of evidence
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
Justification for type of information:
Estimation of toxicity to aquatic algae using ECOSAR v2.00. Please find the QSAR Model Reporting Format (QMRF) and the corresponding QSAR Prediction Reporting Format (QPRF) attached to this IUCLID record.
Principles of method if other than guideline:
ECOSAR™ v2.0 for acute and chrnoic toxicity to algae for aliphatic amines with a log Kow up to 6.4 (acute) and 8.0 (chronic).
GLP compliance:
no
Specific details on test material used for the study:
- SMILES: c1(CN(CC2CO2)CC2CO2)cc(CN(CC2CO2)CC2CO2)ccc1
- log Kow: -0.3414 (predicted) Only the log Kow-value is used for the prediction.
- Water solubility: 106730 mg/L (predicted)
Test organisms (species):
other: Green algae
Water media type:
freshwater
Total exposure duration:
96 h
Key result
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
307 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
growth rate
Remarks on result:
other: ECOSAR chemical class: "Aliphatic amines"
Remarks:
Substance falls within the applicability domain of the model
Key result
Dose descriptor:
other: Chronic value (ChV)
Effect conc.:
83.8 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
growth rate
Remarks on result:
other: ECOSAR chemical class: "Aliphatic amines"
Remarks:
Substance falls within the applicability domain of the model
Endpoint:
toxicity to aquatic algae and cyanobacteria
Type of information:
(Q)SAR
Remarks:
ECOSAR v2.00 (Aliphatic amines)
Adequacy of study:
weight of evidence
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
Justification for type of information:
Estimation of toxicity to aquatic algae using ECOSAR v2.00. Please find the QSAR Model Reporting Format (QMRF) and the corresponding QSAR Prediction Reporting Format (QPRF) attached to this IUCLID record.
Principles of method if other than guideline:
ECOSAR™ v2.0 for acute and chrnoic toxicity to algae for aliphatic amines with a log Kow up to 6.4 (acute) and 8.0 (chronic).
GLP compliance:
no
Specific details on test material used for the study:
- SMILES: OCC(O)CN(Cc1cccc(c1)CN(CC(O)CO)CC(O)CO)CC(O)CO
- log Kow: -6.1774 (predicted) Only the log Kow-value is used for the prediction.
- Water solubility: 1E+06 mg/L (predicted)
Test organisms (species):
other: Green algae
Water media type:
freshwater
Total exposure duration:
96 h
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
4 880 000 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
growth rate
Remarks on result:
other: ECOSAR chemical class: "Aliphatic amines"
Remarks:
Substance falls within the applicability domain of the model. The effect value exceeds the predicted solubility of the substance, therefore no effects at saturation are expected).
Dose descriptor:
other: Chronic value (ChV)
Effect conc.:
817 000 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
growth rate
Remarks on result:
other: ECOSAR chemical class: "Aliphatic amines"
Remarks:
Substance falls within the applicability domain of the model
Endpoint:
toxicity to aquatic algae and cyanobacteria
Data waiving:
study technically not feasible
Justification for data waiving:
other:

Description of key information

Due to technical difficulties, QSAR data was used to estimate the acute and chronic toxicity to algae. In a weight-of-evidence approach, the most conservative value for acute and chronic toxicity were used as key values. Hence, 96-h EC50 and ChV were determined to be 307 and 83.8 mg/L, respectively.

Key value for chemical safety assessment

EC50 for freshwater algae:
217 mg/L
EC10 or NOEC for freshwater algae:
83.8 mg/L

Additional information

ECOSAR v2.00 data was generated on the epoxided and hydrolysed form of the test substance. Estimations of the test substance were conducted based on models for the corresponding chemical class identified by ECOSAR (aliphatic amines; no valid model for polyepoxides is available for this endpoint in ECOSAR v2.00). For the epoxided substance, the acute and chronic toxicity predictions were 307 mg/L and 83.8 mg/L. For the hydrolysed substance, the acute and chronic toxicity predictions were 4.88E+06 and 8.17E+05 mg/L. In all cases, the substance falls within the applicability domain of the models used.