Registration Dossier

Environmental fate & pathways

Biodegradation in water: screening tests

Administrative data

Endpoint:
biodegradation in water: screening test, other
Remarks:
QSAR analysis using BIOWIN
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
03 Oct 2017
Reliability:
1 (reliable without restriction)
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:
See QPRF and QMRF in the attached justification document pages 128-133 and 134-175 respectively for complete analysis of the applicablility of the models application to the target chemical.

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2017
Report Date:
2017

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
QSAR analysis using BIOWIN model within the software EPISUITE.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
other: In SIlico
Details on test material:
In silico test item
Specific details on test material used for the study:
In Silico study, specifics on test material are not required.

Study design

Oxygen conditions:
other: Not applicable - in silico simulation
Inoculum or test system:
other: Not applicable - in silico simulation
Parameter followed for biodegradation estimation
Parameter followed for biodegradation estimation:
other: Not applicable - in silico simulation
Details on study design:
EPI Biowin models in the Danish QSAR database or the EpiSuite software were used as screening criteria to identify whether 1,5-dinitronapthalene is persistence or not in the aquatic environment.
Reference substance
Reference substance:
not required
Remarks:
In silico study - no reference substance outiwith the training dataset is required.

Results and discussion

% Degradationopen allclose all
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
Biowin 2
Value:
< 0.5
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
Biowin 3
Value:
< 0.5
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
Biowin 6
Value:
< 0.5
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Details on results:
EPI Biowin models in the Danish QSAR database or the EpiSuite software were used as screening criteria to identify whether 1,5-dinitronapthalene is persistence or not in the aquatic environment. This information is also warranted in relation to the PBT assessment.

The weight of evidence used a combined prediction from Biowin 3 (ultimate survey model) and Biowin 5 (MIT linear model) was used. In both cases, the results 2.38 and -0.26 were below the cut-off values for the criteria to consider a substance as ready biodegradable (Biowin 3= days or days to weeks ≥ 2.75, and Biowin 5 ≥ 0.5), respectively.

The second weight of evidence procedure was based on combined criteria of Biowin 2 < 0.5 or Biowin 6 < 0.5 and Biowin 3 < 2.25 (-2.75) to consider that the substance does not biodegrade quickly. The results obtained for each model were respectively 0.006, 0.0004 and 2.38 and all are within the stated criteria.

Assessment of the quality of predictions: The EPI BIOWIN models in the Danish QSAR database or in the EpiSuite software were used in the WoE which involved the use of a combine prediction from two or three BIOWIN models. Each model has a defined cut-off value as the criteria to consider the overall prediction positive “YES” or negative “NO”.

General follow-up procedure: Overall, there is strong evidence that 1,5-dinitronapthalene is not readily biodegradable and is potentially ‘Persistent’ in the environment.

BOD5 / COD results

Results with reference substance:
N/A - In silico study

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Interpretation of results:
not readily biodegradable
Conclusions:
The weight of evidence used a combined prediction from Biowin 3 (ultimate survey model) and Biowin 5 (MIT linear model) was used. In both cases, the results 2.38 and -0.26 were below the cut-off values for the criteria to consider a substance as ready biodegradable (Biowin 3= days or days to weeks ≥ 2.75, and Biowin 5 ≥ 0.5), respectively.

The second weight of evidence procedure was based on combined criteria of Biowin 2 < 0.5 or Biowin 6 < 0.5 and Biowin 3 < 2.25 (-2.75) to consider that the substance does not biodegrade quickly. The results obtained for each model were respectively 0.006, 0.0004 and 2.38 and all are within the stated criteria.

General follow-up procedure: Overall, there is strong evidence that 1,5-dinitronapthalene is not readily biodegradable and is potentially ‘Persistent’ in the environment.
Executive summary:

EPI Biowin models in the Danish QSAR database or the EpiSuite software were used as screening criteria to identify whether 1,5-dinitronapthalene is persistence or not in the aquatic environment. This information is also warranted in relation to the PBT assessment.

The weight of evidence used a combined prediction from Biowin 3 (ultimate survey model) and Biowin 5 (MIT linear model) was used. In both cases, the results 2.38 and -0.26 were below the cut-off values for the criteria to consider a substance as ready biodegradable (Biowin 3= days or days to weeks ≥ 2.75, and Biowin 5 ≥ 0.5), respectively.

The second weight of evidence procedure was based on combined criteria of Biowin 2 < 0.5 or Biowin 6 < 0.5 and Biowin 3 < 2.25 (-2.75) to consider that the substance does not biodegrade quickly. The results obtained for each model were respectively 0.006, 0.0004 and 2.38 and all are within the stated criteria.

General follow-up procedure: Overall, there is strong evidence that 1,5-dinitronapthalene is not readily biodegradable and is potentially ‘Persistent’ in the environment.