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Ecotoxicological information

Long-term toxicity to aquatic invertebrates

Administrative data

long-term toxicity to aquatic invertebrates
Type of information:
Adequacy of study:
key study
Study period:
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:
Please refer to attached QMRF and QPRF Documents.

Data source

Referenceopen allclose all

Reference Type:
other: ECOSAR calculation
Report date:
Reference Type:
other: Estimation software
ECOlogical Structure-Activity Relationship Model (ECOSAR) Class Program v2.0
Bibliographic source:
United States Environmental Protection Agency, Washington DC, USA; October 2017

Materials and methods

Test guideline
according to guideline
other: REACH guidance on QSAR R.6
Principles of method if other than guideline:
Calculation of Long-Term toxicity in aquatic invertebrates. Software used: ECOSAR 2.0 for chemical class "Phenols, Poly"
GLP compliance:

Test material

Constituent 1
Chemical structure
Reference substance name:
EC Number:
EC Name:
Cas Number:
Molecular formula:
C29 H24 O7
Specific details on test material used for the study:
SMILES: OC(COc1ccc(C(=O)c2ccccc2)c(O)c1)COc3ccc(C(=O)c4ccccc4)c(O)c3

Sampling and analysis

Analytical monitoring:
not required

Test organisms

Test organisms (species):
Daphnia sp.

Study design

Water media type:
Remarks on exposure duration:
chronic exposure (duration not specified)

Results and discussion

Effect concentrations
Key result
Dose descriptor:
other: ChV
Effect conc.:
0.094 mg/L
Remarks on result:
other: ChV (chronic value, QSAR); The substance is within the applicability domain of the model. ECOSAR class "Phenols, Poly".

Any other information on results incl. tables

OrganismDurationEnd PointConcentration (mg/L)Max. Log KowFlags
Daphnid ChV0.0948Chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported

Applicant's summary and conclusion

Validity criteria fulfilled:
Using ECOSAR v2.0 the long-term toxicity ChV value for aquatic invertebrates was calculated to be 0.094 mg/L. The substance is within the applicability domain of the model.
Executive summary:

The long-term toxicity in aquatic invertebrates was calculated using ECOSAR v2.0 from US Environmental Protection Agency. The ChV (chronic value) was estimated to be 0.094 mg/L.


The adequacy of a prediction depends on the following conditions:

a) the (Q)SAR model is scientifically valid: the scientific validity is established according to the OECD principles for (Q)SAR validation;

b) the (Q)SAR model is applicable to the query chemical: a (Q)SAR is applicable if the query chemical falls within the defined applicability domain of the model;

c) the (Q)SAR result is reliable: a valid (Q)SAR that is applied to a chemical falling within its applicability domain provides a reliable result;

d) the (Q)SAR model is relevant for the regulatory purpose.


For assessment and justification of these 4 requirements the QMRF and QPRF files were developed and attached to this study record.


Description of the prediction Model

The prediction model was descriped using the harmonised template for summarising and reporting key information on (Q)SAR models. For more details please refer to the attached QSAR Model Reporting Format (QMRF) file. 


Assessment of estimation domain

The assessment of the estimation domain was documented in the QSAR Prediction Reporting Format file (QPRF). Please refer to the attached document for the details of the prediction and the assessment of the estimation domain.