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Ecotoxicological information

Long-term toxicity to aquatic invertebrates

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Administrative data

Endpoint:
long-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2013
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Principles of method if other than guideline:
QSAR approach: Different tools were used, when possible, in order to apply a consensus approach and thus enhance the reliability of the predictions. In fact, a single in silico prediction model may provide acceptable results. However, by definition all models are simulation of reality, and therefore they will never be completely accurate; sometimes a single model will not work. When multiple models and multiple approaches are combined in a single consensus score, more accurate predictions can be achieved.
If two prediction methods that use data and different approaches are consistent, the reliability of prediction is better. The errors of a model/approach should be different from another, and therefore compensate.

Several computational tools are nowadays available for applying in silico approaches. Among them, for QSAR predictions the following was selected and used for the endpoint:
ECOSAR (Ecological Structure Activity Relationships system) (US Environmental Protection Agency’s Office of Pollution Prevention and Toxics, version 1.11) Class Program is a computerized predictive system that estimates aquatic toxicity. The program estimates a chemical's acute (short-term) toxicity and chronic (long-term or delayed) toxicity to aquatic organisms such as fish, aquatic invertebrates, and aquatic plants by using computerized Structure Activity Relationships (SARs).
Aquatic toxicity of untested chemicals is predicted based on their structural similarity to chemicals for which aquatic studies are available. The toxicity data used to build the SARs are collected from publicly available experimental studies and confidential submissions provided to the U.S. EPA New Chemicals Program. The SARs in ECOSAR express correlations between a compound's physicochemical properties and its toxicity within specific chemical classes.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] adipate
EC Number:
265-807-4
EC Name:
Bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] adipate
Cas Number:
65520-46-9
Molecular formula:
C26H50O10
IUPAC Name:
bis{2-[2-(2-butoxyethoxy)ethoxy]ethyl} adipate
Test material form:
other: liquid

Results and discussion

Effect concentrations
Dose descriptor:
other: ChV
Effect conc.:
30.056 mg/L

Any other information on results incl. tables

Chemical

ChV (mg/l)

Applicability domain

Reliability assessment

bis(2-(2-(2-butoxyethoxy)ethoxy)ethyl) adipate

30.056*

Chemical may not be soluble enough to measure the predicted effect

LITTLE RELIABLE

Applicant's summary and conclusion

Conclusions:
ECOSAR prediction of chronic aquatic toxicity on Daphnia for bis(2-(2-(2-butoxyethoxy)ethoxy)ethyl) adipate resulted to be NOT reliable, since a warning on the prediction is provided due to the fact that it may not be soluble enough to measure the predicted effect.

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