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Ecotoxicological information

Toxicity to aquatic algae and cyanobacteria

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Reference
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







































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


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. 

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.

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