Registration Dossier
Registration Dossier
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EC number: 947-255-2 | CAS number: -
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-10-10
- 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:
- QSAR prediction
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6, May 2008
- Deviations:
- no
- Principles of method if other than guideline:
- See attached QPRF.
- GLP compliance:
- no
- Remarks:
- (not relevant)
- Specific details on test material used for the study:
- - SMILES: O(C(CCC1C2)(C2)C)C1(C)C
- MOL FOR: C10 H18 O1
- MOL WT: 154.25
- log Kow : 3.133 (EPISuite, kowwin v1.68 estimate)
- Water solubility : 3500 mg/L (PhysProp DB exp value) - Details on sampling:
- Not applicable
- Details on test solutions:
- Not applicable
- Details on test organisms:
- None
- Total exposure duration:
- 96 h
- Post exposure observation period:
- Not applicable
- Hardness:
- Not applicable
- Test temperature:
- Not applicable
- pH:
- Not applicable
- Dissolved oxygen:
- Not applicable
- Salinity:
- Not applicable
- Nominal and measured concentrations:
- Not applicable
- Details on test conditions:
- Not applicable
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 8.805 mg/L
- Remarks on result:
- other: ECOSAR Class: Neutral Organic SAR (Baseline toxicity)
- Details on results:
- Validity of model:
1. Defined Endpoint: Toxicity to aquatic algae.
2. Unambigous algorithm: Linear regression QSAR; Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253. To convert the EC50 from mmol/L to mg/L, multiply by the molecular weight.
3. Applicability domain: applicable to chemicals with log Kow less than 6.4 and molecular weight less than 1000 g/mol. The model can be suitable for chemicals class of neutral organic.
4. Statistical characteristics: N = 41+9 and the coefficient of determination R² = 0.6782.
5. Mechanistic interpretation: related to the partitioning of the substance from water into the organisms lipid phase.
Adequacy of prediction: the substance falls within the applicability domain described above and therefore the predicted value can be considered reliable. - Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- N = 41+9 and the coefficient of determination R² = 0.6782.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The substance was predicted to have an EC50 of 8.805 mg/L to green algae after 96h of exposure.
- Executive summary:
Toxicity to green algae was estimated using the ECOSAR v1.11 QSAR model available from the U.S. EPA. The estimation 96h-EC50 was 8.805 mg/L (neutral organic SAR, baseline toxicity), calculated from an estimated log Kow value (3.133) and a linear regression:
Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253.
The substance falls within the applicability domain and therefore the predicted value can be considered reliable.
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-10-10
- 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:
- QSAR prediction
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6, May 2008
- Deviations:
- no
- Principles of method if other than guideline:
- See attached QPRF.
- GLP compliance:
- no
- Remarks:
- (not relevant)
- Details on sampling:
- Not applicable
- Details on test solutions:
- Not applicable
- Details on test organisms:
- None
- Total exposure duration:
- 96 h
- Post exposure observation period:
- Not applicable
- Hardness:
- Not applicable
- Test temperature:
- Not applicable
- pH:
- Not applicable
- Dissolved oxygen:
- Not applicable
- Salinity:
- Not applicable
- Nominal and measured concentrations:
- Not applicable
- Details on test conditions:
- Not applicable
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 1.273 mg/L
- Remarks on result:
- other: ECOSAR Class: Neutral Organic SAR (Baseline toxicity)
- Details on results:
- Validity of model:
1. Defined Endpoint: Toxicity to aquatic algae.
2. Unambigous algorithm: Linear regression QSAR; Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253. To convert the EC50 from mmol/L to mg/L, multiply by the molecular weight.
3. Applicability domain: applicable to chemicals with log Kow less than 6.4 and molecular weight less than 1000 g/mol. The model can be suitable for chemicals class of neutral organic.
4. Statistical characteristics: N = 41+9 and the coefficient of determination R² = 0.6782.
5. Mechanistic interpretation: related to the partitioning of the substance from water into the organisms lipid phase.
Adequacy of prediction: the substance falls within the applicability domain described above and therefore the predicted value can be considered reliable. - Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- N = 41+9 and the coefficient of determination R² = 0.6782.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The substance was predicted to have an EC50 of 1.273 mg/L to green algae after 96h of exposure.
- Executive summary:
Toxicity to green algae was estimated using the ECOSAR v1.11 QSAR model available from the U.S. EPA. The estimation 96h-EC50 was 1.273 mg/L (neutral organic SAR, baseline toxicity), calculated from an estimated log Kow value (4.269) and a linear regression:
Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253.
The substance falls within the applicability domain and therefore the predicted value can be considered reliable.
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-10-10
- 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:
- QSAR prediction
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6, May 2008
- Deviations:
- no
- Principles of method if other than guideline:
- See attached QPRF.
- GLP compliance:
- no
- Remarks:
- (not relevant)
- Details on sampling:
- Not applicable
- Details on test solutions:
- Not applicable
- Details on test organisms:
- None
- Total exposure duration:
- 96 h
- Post exposure observation period:
- Not applicable
- Hardness:
- Not applicable
- Test temperature:
- Not applicable
- pH:
- Not applicable
- Dissolved oxygen:
- Not applicable
- Salinity:
- Not applicable
- Nominal and measured concentrations:
- Not applicable
- Details on test conditions:
- Not applicable
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 1.123 mg/L
- Remarks on result:
- other: ECOSAR Class: Neutral Organic SAR (Baseline toxicity)
- Details on results:
- Validity of model:
1. Defined Endpoint: Toxicity to aquatic algae.
2. Unambigous algorithm: Linear regression QSAR; Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253. To convert the EC50 from mmol/L to mg/L, multiply by the molecular weight.
3. Applicability domain: applicable to chemicals with log Kow less than 6.4 and molecular weight less than 1000 g/mol. The model can be suitable for chemicals class of neutral organic.
4. Statistical characteristics: N = 41+9 and the coefficient of determination R² = 0.6782.
5. Mechanistic interpretation: related to the partitioning of the substance from water into the organisms lipid phase.
Adequacy of prediction: the substance falls within the applicability domain described above and therefore the predicted value can be considered reliable. - Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- N = 41+9 and the coefficient of determination R² = 0.6782.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The substance was predicted to have an EC50 of 1.123 mg/L to green algae after 96h of exposure.
- Executive summary:
Toxicity to green algae was estimated using the ECOSAR v1.11 QSAR model available from the U.S. EPA. The estimation 96h-EC50 was 1.123 mg/L (neutral organic SAR, baseline toxicity), calculated from an estimated log Kow value (4.347) and a linear regression:
Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253.
The substance falls within the applicability domain and therefore the predicted value can be considered reliable.
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-10-10
- 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:
- QSAR prediction
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6, May 2008
- Deviations:
- no
- Principles of method if other than guideline:
- See attached QPRF.
- GLP compliance:
- no
- Remarks:
- (not relevant)
- Specific details on test material used for the study:
- - SMILES: C=C1C(C2)C2(C(C)C)CC1
- MOL FOR: C10 H16
- MOL WT: 136.24
- log Kow : 4.689 (EPISuite, kowwin v1.68 estimate)
- Water solubility : 2.494 mg/L (EPISuite, WSkowwin v1.43 estimate) - Details on sampling:
- Not applicable
- Details on test solutions:
- Not applicable
- Details on test organisms:
- None
- Total exposure duration:
- 96 h
- Post exposure observation period:
- Not applicable
- Hardness:
- Not applicable
- Test temperature:
- Not applicable
- pH:
- Not applicable
- Dissolved oxygen:
- Not applicable
- Salinity:
- Not applicable
- Nominal and measured concentrations:
- Not applicable
- Details on test conditions:
- Not applicable
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 0.651 mg/L
- Remarks on result:
- other: ECOSAR Class: Neutral Organic SAR (Baseline toxicity)
- Details on results:
- Validity of model:
1. Defined Endpoint: Toxicity to aquatic algae.
2. Unambigous algorithm: Linear regression QSAR; Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253. To convert the EC50 from mmol/L to mg/L, multiply by the molecular weight.
3. Applicability domain: applicable to chemicals with log Kow less than 6.4 and molecular weight less than 1000 g/mol. The model can be suitable for chemicals class of neutral organic.
4. Statistical characteristics: N = 41+9 and the coefficient of determination R² = 0.6782.
5. Mechanistic interpretation: related to the partitioning of the substance from water into the organisms lipid phase.
Adequacy of prediction: the substance falls within the applicability domain described above and therefore the predicted value can be considered reliable. - Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- N = 41+9 and the coefficient of determination R² = 0.6782.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The substance was predicted to have an EC50 of 0.651 mg/L to green algae after 96h of exposure.
- Executive summary:
Toxicity to green algae was estimated using the ECOSAR v1.11 QSAR model available from the U.S. EPA. The estimation 96h-EC50 was 0.651 mg/L (neutral organic SAR, baseline toxicity), calculated from an estimated log Kow value (4.689) and a linear regression:
Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253.
The substance falls within the applicability domain and therefore the predicted value can be considered reliable.
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-10-10
- 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:
- QSAR prediction
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6, May 2008
- Deviations:
- no
- Principles of method if other than guideline:
- See attached QPRF.
- GLP compliance:
- no
- Remarks:
- (not relevant)
- Specific details on test material used for the study:
- - SMILES: OC(C(CCC(=C1)C)C1)(C)C
- MOL FOR: C10 H18 O1
- MOL WT: 154.25
- log Kow : 3.332 (EPISuite, kowwin v1.68 estimate)
- Water solubility : 1980 mg/L (PhysProp DB exp value) - Details on sampling:
- Not applicable
- Details on test solutions:
- Not applicable
- Details on test organisms:
- None
- Total exposure duration:
- 96 h
- Post exposure observation period:
- Not applicable
- Hardness:
- Not applicable
- Test temperature:
- Not applicable
- pH:
- Not applicable
- Dissolved oxygen:
- Not applicable
- Salinity:
- Not applicable
- Nominal and measured concentrations:
- Not applicable
- Details on test conditions:
- Not applicable
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 6.416 mg/L
- Remarks on result:
- other: ECOSAR Class: Neutral Organic SAR (Baseline toxicity)
- Details on results:
- Validity of model:
1. Defined Endpoint: Toxicity to aquatic algae.
2. Unambigous algorithm: Linear regression QSAR; Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253. To convert the EC50 from mmol/L to mg/L, multiply by the molecular weight.
3. Applicability domain: applicable to chemicals with log Kow less than 6.4 and molecular weight less than 1000 g/mol. The model can be suitable for chemicals class of neutral organic.
4. Statistical characteristics: N = 41+9 and the coefficient of determination R² = 0.6782.
5. Mechanistic interpretation: related to the partitioning of the substance from water into the organisms lipid phase.
Adequacy of prediction: the substance falls within the applicability domain described above and therefore the predicted value can be considered reliable. - Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- N = 41+9 and the coefficient of determination R² = 0.6782.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The substance was predicted to have an EC50 of 6.416 mg/L to green algae after 96h of exposure.
- Executive summary:
Toxicity to green algae was estimated using the ECOSAR v1.11 QSAR model available from the U.S. EPA. The estimation 96h-EC50 was 6.416 mg/L (neutral organic SAR, baseline toxicity), calculated from an estimated log Kow value (3.332) and a linear regression:
Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253.
The substance falls within the applicability domain and therefore the predicted value can be considered reliable.
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-10-10
- 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:
- QSAR prediction
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6, May 2008
- Deviations:
- no
- Principles of method if other than guideline:
- See attached QPRF.
- GLP compliance:
- no
- Remarks:
- (not relevant)
- Specific details on test material used for the study:
- - SMILES: C(=CCC(=C1)C)(C1)C(C)C
- MOL FOR: C10 H16
- MOL WT: 136.24
- log Kow : 4.749 (EPISuite, kowwin v1.68 estimate)
- Water solubility : 8.68 mg/L (PhysProp DB exp value) - Details on sampling:
- Not applicable
- Details on test solutions:
- Not applicable
- Details on test organisms:
- None
- Total exposure duration:
- 96 h
- Post exposure observation period:
- Not applicable
- Hardness:
- Not applicable
- Test temperature:
- Not applicable
- pH:
- Not applicable
- Dissolved oxygen:
- Not applicable
- Salinity:
- Not applicable
- Nominal and measured concentrations:
- Not applicable
- Details on test conditions:
- Not applicable
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 0.592 mg/L
- Remarks on result:
- other: ECOSAR Class: Neutral Organic SAR (Baseline toxicity)
- Details on results:
- Validity of model:
1. Defined Endpoint: Toxicity to aquatic algae.
2. Unambigous algorithm: Linear regression QSAR; Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253. To convert the EC50 from mmol/L to mg/L, multiply by the molecular weight.
3. Applicability domain: applicable to chemicals with log Kow less than 6.4 and molecular weight less than 1000 g/mol. The model can be suitable for chemicals class of neutral organic.
4. Statistical characteristics: N = 41+9 and the coefficient of determination R² = 0.6782.
5. Mechanistic interpretation: related to the partitioning of the substance from water into the organisms lipid phase.
Adequacy of prediction: the substance falls within the applicability domain described above and therefore the predicted value can be considered reliable. - Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- N = 41+9 and the coefficient of determination R² = 0.6782.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The substance was predicted to have an EC50 of 0.592 mg/L to green algae after 96h of exposure.
- Executive summary:
Toxicity to green algae was estimated using the ECOSAR v1.11 QSAR model available from the U.S. EPA. The estimation 96h-EC50 was 0.592 mg/L (neutral organic SAR, baseline toxicity), calculated from an estimated log Kow value (4.749) and a linear regression:
Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253.
The substance falls within the applicability domain and therefore the predicted value can be considered reliable.
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-10-10
- 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:
- QSAR prediction
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6, May 2008
- Deviations:
- no
- Principles of method if other than guideline:
- See attached QPRF.
- GLP compliance:
- no
- Remarks:
- (not relevant)
- Specific details on test material used for the study:
- - SMILES: C(C=C)(=C)CCC=C(C)C
- MOL FOR: C10 H16
- MOL WT: 136.24
- log Kow : 4.877 (EPISuite, kowwin v1.68 estimate)
- Water solubility : 5.6 mg/L (PhysProp DB exp value) - Details on sampling:
- Not applicable
- Details on test solutions:
- Not applicable
- Details on test organisms:
- None
- Total exposure duration:
- 96 h
- Post exposure observation period:
- Not applicable
- Hardness:
- Not applicable
- Test temperature:
- Not applicable
- pH:
- Not applicable
- Dissolved oxygen:
- Not applicable
- Salinity:
- Not applicable
- Nominal and measured concentrations:
- Not applicable
- Details on test conditions:
- Not applicable
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 0.483 mg/L
- Remarks on result:
- other: ECOSAR Class: Neutral Organic SAR (Baseline toxicity)
- Details on results:
- Validity of model:
1. Defined Endpoint: Toxicity to aquatic algae.
2. Unambigous algorithm: Linear regression QSAR; Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253. To convert the EC50 from mmol/L to mg/L, multiply by the molecular weight.
3. Applicability domain: applicable to chemicals with log Kow less than 6.4 and molecular weight less than 1000 g/mol. The model can be suitable for chemicals class of neutral organic.
4. Statistical characteristics: N = 41+9 and the coefficient of determination R² = 0.6782.
5. Mechanistic interpretation: related to the partitioning of the substance from water into the organisms lipid phase.
Adequacy of prediction: the substance falls within the applicability domain described above and therefore the predicted value can be considered reliable. - Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- N = 41+9 and the coefficient of determination R² = 0.6782.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The substance was predicted to have an EC50 of 0.483 mg/L to green algae after 96h of exposure.
- Executive summary:
Toxicity to green algae was estimated using the ECOSAR v1.11 QSAR model available from the U.S. EPA. The estimation 96h-EC50 was 0.483 mg/L (neutral organic SAR, baseline toxicity), calculated from an estimated log Kow value (4.877) and a linear regression:
Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253.
The substance falls within the applicability domain and therefore the predicted value can be considered reliable.
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-10-10
- 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:
- QSAR prediction
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6, May 2008
- Deviations:
- no
- Principles of method if other than guideline:
- See attached QPRF.
- GLP compliance:
- no
- Remarks:
- (not relevant)
- Specific details on test material used for the study:
- - SMILES: OC(CCC(=C1)C)(C1)C(C)C
- MOL FOR: C10 H18 O1
- MOL WT: 154.25
- log Kow : 3.332 (EPISuite, kowwin v1.68 estimate)
- Water solubility : 386.6 mg/L (EPISuite WSKowwin v1.43 Estimate) - Details on sampling:
- Not applicable
- Details on test solutions:
- Not applicable
- Details on test organisms:
- None
- Total exposure duration:
- 96 h
- Post exposure observation period:
- Not applicable
- Hardness:
- Not applicable
- Test temperature:
- Not applicable
- pH:
- Not applicable
- Dissolved oxygen:
- Not applicable
- Salinity:
- Not applicable
- Nominal and measured concentrations:
- Not applicable
- Details on test conditions:
- Not applicable
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 6.416 mg/L
- Remarks on result:
- other: ECOSAR Class: Neutral Organic SAR (Baseline toxicity)
- Details on results:
- Validity of model:
1. Defined Endpoint: Toxicity to aquatic algae.
2. Unambigous algorithm: Linear regression QSAR; Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253. To convert the EC50 from mmol/L to mg/L, multiply by the molecular weight.
3. Applicability domain: applicable to chemicals with log Kow less than 6.4 and molecular weight less than 1000 g/mol. The model can be suitable for chemicals class of neutral organic.
4. Statistical characteristics: N = 41+9 and the coefficient of determination R² = 0.6782.
5. Mechanistic interpretation: related to the partitioning of the substance from water into the organisms lipid phase.
Adequacy of prediction: the substance falls within the applicability domain described above and therefore the predicted value can be considered reliable. - Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- N = 41+9 and the coefficient of determination R² = 0.6782.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The substance was predicted to have an EC50 of 6.416 mg/L to green algae after 96h of exposure.
- Executive summary:
Toxicity to green algae was estimated using the ECOSAR v1.11 QSAR model available from the U.S. EPA. The estimation 96h-EC50 was 6.416 mg/L (neutral organic SAR, baseline toxicity), calculated from an estimated log Kow value (3.332) and a linear regression:
Log 96h-EC50 (mmol/L) = -0.6922 (log Kow) + 0.9253.
The substance falls within the applicability domain and therefore the predicted value can be considered reliable.
Referenceopen allclose all
None
None
None
None
None
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None
Description of key information
Constituent approach, additivity formula:
96h-EC50 for freshwater algae = 2.01 mg/L for Ravintsara oil.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 2.01 mg/L
Additional information
Based on a weight of evidence approach, the acute toxicity of the substance to aquatic algae can be estimated using adequate toxicity data of major constituents. Constituents above 1% in the composition were considered, representing 93.96% of the mixture. The individual toxicity of these constituent has been predicted using ECOSAR v1.11 from EPISUITE tool. All the constituents fall within the applicability domain of the model and the predictions were considered reliable. Moreover, all the constituents taken into account in the assessment have the same MoA (Neutral organics, baseline toxicity).
The estimation of the toxicity of the substance was based on the individual toxicities of each constituent above 1% using typical percentages of these compounds. These data are summarized in the table below:
Constituents |
Typical value in the mixture* |
Freshwater algae 96h-EC50, mg/L |
Cineol 1,8 |
55.75% |
8.805 |
Sabinene |
16.58% |
0.651 |
Terpineol α |
7.23% |
6.416 |
Pinene α |
5.38% | 1.273 |
| Pinene beta | 3.72% | 1.123 |
| Terpinen 4 ol | 2.26% | 6.416 |
| Myrcene | 1.82% | 0.483 |
| Gamma-terpinene | 1.22% | 0.592 |
* Typical % taken from the certificate of analysis related to the batch no B790145, provided by the supplier of the substance.
The acute toxicity of the susbtance to algae was estimated using the following additivity formula, as recommended in the Regulation (EC) No 1272/2008 (CLP):
∑ Ci / L(E)C50m = ∑ (Ci / L(E)C50i)
Where,
Ci = concentration of component i (weight percentage);
L(E)C50i = LC50 or EC50 for component i, in mg/L;
L(E)C50m = L(E)C50 of the part of the mixture with test data;
Based on data presented above, the 96h-EC50m value for the substance was estimated to be 2.01 mg/L for aquatic algae for a typical mixture.
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