Registration Dossier

Environmental fate & pathways

Biodegradation in water: screening tests

Administrative data

Endpoint:
biodegradation in water: screening tests
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:
BIOWIN v 4.10 (EPI suite)
Author:
Model developed by USEPA
Year:
2008
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 BIODEGRADATION from fragment constants.

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES : CC(C)CCOC(=O)c1c(C(=O)OCCC(C)C)cccc1
CHEM : diisopentyl phthalate
MOL FOR: C18 H26 O4

MOL WT : 306.41

Results and discussion

% Degradation
Remarks on result:
other: predicted data supplied
Details on results:
Validity of the model
1. Defined Endpoint: Biodegradation
2. Linear and non-linear model prediction QSAR. Predicted to be readily biodegradable.
3. Applicability domain: Applicable to chemicals
4. Statistical characteristics: Bayesian analysis of ready biodegradation data. Model based on analysis of fragment constants
5. Mechanistic interpretation based on prediction of frgament constants.
Adequacy of prediction: Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey
model) result is "weeks" or faster (i.e. "days", "days to weeks", or
"weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then
the prediction is YES (readily biodegradable). If this condition is not
satisfied, the prediction is NO (not readily biodegradable). This method
is based on application of Bayesian analysis to ready biodegradation data. Biowin5 and 6 also predict ready biodegradability, but for
degradation in the OECD301C test only; using data from the Chemicals
Evaluation and Research Institute Japan (CERIJ) database.

Any other information on results incl. tables

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:
The substance Diisopentyl phthalate was predicted to be Readily Biodegradable.
The prediction should be used for classification and risk assessment.