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EC number: - | 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:
- key study
- 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:
- 1. SOFTWARE
Epi Suite EPA USA
ECOSAR
2. MODEL (incl. version number)
EpiSuite V4.11
ECOSAR v1.11
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CLc1ccc(c(CL)c1C)C(=O)C(=CNC2CC2)C(=O)OCC
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See QMRF in 'Attached justification'
5. APPLICABILITY DOMAIN
See QMRF in 'Attached justification'
6. ADEQUACY OF THE RESULT
See QMRF in 'Attached justification' - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: EpiSuite v4.11 ECOSAR v1.11
- Model(s) used: The ECOSAR User Manual, ECOSAR. A Computer Program for Estimating the Ecotoxicity of Industrial Chemicals (EPA-748-R-93-002)
Estimating Toxicity of Industrial Chemicals to Aquatic Organisms Using Structure Activity Relationships (EPA-748-R-93-001).
ECOSAR v1.11 Methodology Document.
ECOSAR v1.11 Operation Manual.
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - Test organisms (species):
- other: green algae
- Key result
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 0.431 mg/L
- Nominal / measured:
- estimated
- Remarks on result:
- other: QSAR predicted value based on Aliphatic Amines
- Key result
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 2.772 mg/L
- Nominal / measured:
- estimated
- Remarks on result:
- other: QSAR predicted value based on Esters
- Key result
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 6.08 mg/L
- Nominal / measured:
- estimated
- Remarks on result:
- other: QSAR predicted value based on Vinyl/Allyl Ketones
- Key result
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 8.368 mg/L
- Nominal / measured:
- estimated
- Remarks on result:
- other: QSAR predicted value based on Neutral Organic SAR
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The test item has an estimated to EC50-96h of 0.431 mg/L based on its aliphatic amines for green algae.
- Executive summary:
The toxicity to aquatic algae and cyanobacteria of the test item was estimated using ECOSAR v1.11 in EpiSuite v4.11 which predicted an to EC50-96h of 0.431mg/L for Aliphatic Amines Class, 2.772mg/L for Esters Class, 6.08mg/L for Vinyl/Allyl Ketones Class and 8.368mg/L for Neutral Organic SAR Class for green algae.
Reference
ECOSAR Class | Organism | Duration | End Pt | Predicted mg/L (ppm) |
Aliphatic Amines | Green Algae | 96-hr | EC50 | 0.431 |
Esters | Green Algae | 96-hr | EC50 | 2.772 |
Vinyl/Allyl Ketones | Green Algae | 96-hr | EC50 | 6.080 |
Neutral Organic SAR | Green Algae | 96-hr | EC50 | 8.368 |
Description of key information
Toxicity to aquatic algae and cyanobacteria: Key Study: QSAR according to REACH Guidance on QSARs R.6, non GLP. The test item has an estimated to EC50-96h of 0.431mg/L based on its aliphatic amines for green algae.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 0.431 mg/L
Additional information
The toxicity to aquatic algae and cyanobacteria of the test item was estimated using ECOSAR v1.11 in EpiSuite v4.11 which predicted an to EC50-96h of 0.431mg/L for Aliphatic Amines Class, 2.772mg/L for Esters Class, 6.08mg/L for Vinyl/Allyl Ketones Class and 8.368mg/L for Neutral Organic SAR Class for green algae.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
