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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Ecotoxicological information

Short-term toxicity to fish

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Link to relevant study record(s)

short-term toxicity to fish
Type of information:
Adequacy of study:
key study
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
The scientific validity of the (Q)SAR model has been established in accordance with the OECD Principles for (Q)SAR Model Validation.
Justification for type of information:
Estimation of short-term toxicity to fish using ECOSAR v1.11.
no guideline available
Principles of method if other than guideline:
ECOSAR v1.11
ECOSAR is a general model for aquatic toxicity of organic substances. In ECOSAR, substances for which the ecotoxicity is estimated are entitled to chemical classes according to their chemical structure. For each class the ecotox values for acute and chronic endpoints are estimated.
GLP compliance:
Not applicable to QSAR predictions
Specific details on test material used for the study:
- log Kow: 1.339 (predicted) Only the log Kow-value is used for the prediction.
Analytical monitoring:
not required
not specified
Details on test solutions:
Details on test solutions are not applicable to QSAR predictions.
Test organisms (species):
other: fish (incl. e.g. Pimephales promelas)
Test type:
other: QSAR predicted data
Water media type:
Limit test:
Total exposure duration:
96 h
not applicable
Test temperature:
not applicable
not applicable
Dissolved oxygen:
not applicable
not applicable
not applicable
Nominal and measured concentrations:
not applicable
Details on test conditions:
not applicable
96 h
Dose descriptor:
Effect conc.:
103.473 mg/L
Nominal / measured:
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: QSAR prediction ECOSAR chemical class: Esters
(using the LogKow of 1.339)
Sublethal observations / clinical signs:

The ester class model for 96-hr fish acute toxicity as implemented within ECOSAR v1.11 is a valid model in accordance with the OECD principles. The model relies upon KOWWIN v1.68 for its LogKow estimates. KOWWIN v1.68 has been evaluated previously. The test substance ATEC lies within the structural domain of the KOWWIN model.

In addition, the test substance ATEC belongs to the class of esters and its MW value lies within the boundaries of the training set. Thus the test substance ATEC satisfies the applicability domain requirement to a sufficient extent. Analogues with experimental data extracted from the training set showed reasonable concordance between their estimated and experimental LC50 values.

Furthermore, screening data for the test substance ATEC on algae and Daphnia have been compared to the ECOSAR predictions for these species. The results demonstrated that there is a low order of toxicity towards aquatic species with no indiaction that fish is of specific sensitivity. Therefore, there is strong support that the prediction is reasonable. Adequate documentation has been provided by way of the QPRF, the associated QMRF ‘ECOSAR Neutral Organics Fish 96-h LC50’.

Validity criteria fulfilled:
The results are adequate for the regulatory purpose, as the QSAR model is valid and target substance is within its applicability domain.
For ATEC, the predicted LC50 value for acute fish toxicity is 103.472 mg/L (Ecosar V1.11, Class Esters).
Executive summary:

The short-term toxicity to fish was estimated using the ECOSAR model v1.11 included in the EPISUITE software of US EPA. In ECOSAR, substances for which the ecotoxicity is estimated are entitled to chemical classes according to their chemical structure. For each class the ecotoxicity values for acute and chronic endpoints are estimated.

ATEC is classified under the class of the esters.

The estimated 96-hr LC50 value for fish is derived from the log Kow.

The prediction is adequate for the Classification and Labelling or risk assessment of the substance as indicated in REACH Regulation (EC) 1907/2006: Annex XI Section 1.3. The predictions do not indicate extreme or acute toxicities relevant for classification and labelling. The assessment indicates that the prediction is suitable for the regulatory conclusion in accordance with the tonnage driven information requirements.

Description of key information

Key value for chemical safety assessment

Fresh water fish

Fresh water fish
Dose descriptor:
Effect concentration:
103.472 mg/L

Additional information

Data derived by ECOSAR for ATEC: 103.472 mg/L for freshwater