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Diss Factsheets

Ecotoxicological information

Toxicity to aquatic algae and cyanobacteria

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Administrative data

Link to relevant study record(s)

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
Remarks:
Internationally accepted method, EPI-Suite, EPA (USA)
Justification for type of information:
See attached the QMRF and QPRF for the QSAR model.
See also attached the chemical class information document.
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
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.
Specific details on test material used for the study:
SMILES: CCOC(=O)C1=CN(c2c(C1(=O))ccc(c2C)CL)C3CC3
Test organisms (species):
other: green algae
Key result
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
1.651 mg/L
Nominal / measured:
estimated
Remarks on result:
other: QSAR predicted value (esters class)
Key result
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
3.394 mg/L
Nominal / measured:
estimated
Remarks on result:
other: QSAR predicted value (Vinyl/Allyl Ketones class)
Key result
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
5.006 mg/L
Nominal / measured:
estimated
Remarks on result:
other: QSAR predicted value (Neutral organic SAR)

ECOSAR v1.11 predicted that the test substance has a 96 h-EC50 to algae of 1.651 mg/L based on esters class estimation, 3.394 mg/L based on vinyl/allyl Ketones class estimation and 5.006 mg/L based on Neutral Organic SAR.

Validity criteria fulfilled:
not applicable
Conclusions:
The algae 96-h EC50 for the test substance was predicted to be 1.651 mg/L (EPI-Suite, ECOSAR v1.11, lower value between class-specific (esters, vinyl/allyl Ketones) and neutral organic SAR estimations).
Executive summary:

The toxicity to aquatic algae of the test substance was determined by using EPI-Suite, ECOSAR v1.11. The algae 96-h EC50 for the test substance was predicted to be 1.651 mg/L based on esters class estimation, 3.394 mg/L based on vinyl/allyl Ketones class estimation and 5.006 mg/L based on Neutral Organic SAR.

Description of key information

Key Study: Data from EPI-Suite, EPA (USA) / ECOSAR v1.11. The algae 96-h EC50 for the test substance was predicted to be 1.651 mg/L based on esters class estimation, 3.394 mg/L based on vinyl/allyl Ketones class estimation and 5.006 mg/L based on Neutral Organic SAR.

Key value for chemical safety assessment

EC50 for freshwater algae:
1.651 mg/L

Additional information