Registration Dossier

Ecotoxicological information

Short-term toxicity to aquatic invertebrates

Administrative data

Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: (Q)SAR supported by QMRF and QPRF
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: Industry accepted software package
Title:
ECOSAR v1.00 (EPI suite)
Author:
Model developed by USEPA
Year:
2009
Bibliographic source:
EPA website

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: REACH guidance on R6, May/June 2008
Principles of method if other than guideline:
Model for determining aquatic toxicity based on Log Kow and water solubility.

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES : CC(C)CCOC(=O)c1c(C(=O)OCCC(C)C)cccc1
CHEMICAL NAME : diisopentyl phthalate
MOL FOR: C18 H26 O4
MOL WT : 306.41
Log Kow: 5.45 (KowWin estimate)
Water Solubility: 0.252 mg/L (WskowWin estimate)

Results and discussion

Effect concentrations
Remarks on result:
other: Predicted data supplied
Details on results:
Validity of the model
1. Defined Endpoint: Short term toxicity to aquatic invertebrates (Daphnia)
2.Acute and chronic aquatic toxicity prediction QSAR. Predicted LC50 at 48 hours is 0.589 mg/L (NB test substance may not be soluble enough to measure this predicted effect).
3. Applicability domain: Applicable to chemicals with a Log Kow maximum of 5.0. If the log Kow is greater than 5.0, or if the compound is solid and the LC50 exceeds the water solubility by 10X, no effects at saturation are predicted. The QSAR should not be used if the Log Kow is 5.0 or greater or if the molecular weight is 1000 or greater.
4. Statistical characteristics:
5. Mechanistic interpretation based on: Log Kow correlates with the partitioning of the test substance between the aqueous and lipid (fish) phases. Solute in the lipid phase causes narcosis and perhaps death.
Adequacy of prediction: To a considerable extent studies have been performed assuming that narcosis was caused by the presence of fat soluble substances in the lipid portions of fish.
Limitations: If the log Kow value is greater than 5.0, or if the compound is solid and the LC50 exceeds the water solubility by 10X, no effects at saturation are predicted. The QSAR should not be used if the Log Kow is 5.0 or greater or if the molecular weight is 1000 or greater.

Any other information on results incl. tables

The Log Kow value is just outside the applicability domain but the prediction is considered valid. An in-life study is currently being conducted and the dossier will be updated once this information is available.

Applicant's summary and conclusion

Conclusions:
Based on the prediction results described Diisoamyl phthalate is not predicted to be toxic to aquatic invertebrates.
This prediction should be used for classification and labelling.