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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Environmental fate & pathways

Biodegradation in water: screening tests

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Administrative data

Endpoint:
biodegradation in water: screening test, other
Type of information:
(Q)SAR
Remarks:
The valid Danish QSAR database, Battery model that integrates results from all models of CASE Ultra, Lead Scope, SciQSAR, Experimental is applied using actual GC-MS (and headspace) data as well as C>4 hydrocarbons from EPI Suite.
Adequacy of study:
weight of evidence
Reliability:
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
Justification for type of information:
The valid Danish QSAR database, Battery model that integrates results from all models of CASE Ultra, Lead Scope, SciQSAR, Experimental is applied using actual GC-MS (and headspace) data as well as C>4 hydrocarbons from EPI Suite. Due to complex combination of hydrocarbons as UVCB intermediate substance, the input data for Danish QSAR software was actual substance constituents using GC-MS (and headspace) as well as EPI suite available data for C>4 hydrocarbons to provide a comprehensive and reliable assesment that cover complete range of known and probable hydrocarbons.

Data source

Reference
Reference Type:
other: Danish QSAR models and susbtance analytical information
Title:
Unnamed
Year:
2017

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
The valid Danish QSAR database, Battery model that integrates results from all models of CASE Ultra, Lead Scope, SciQSAR, Experimental is applied using actual analytical information of the intermediate substance as attached in the analytical information section including GC-MS (and headspace) data as well as C>4 hydrocarbons from EPI Suite. Due to complex combination of hydrocarbons as UVCB intermediate substance, the input data for Danish QSAR software was actual substance constituents using GC-MS (and headspace) as well as EPI suite available data for C>4 hydrocarbons to provide a comprehensive and reliable assesment that cover complete range of known and probable hydrocarbons. For each constituents in the QSAR database, available ready biodegradability test results according to EU and EPA guidlines are used. The new Danish QSAR data base is a repository of data fro more than 600,000 susbtances. The data include endpoints for physio chemical properties, environmental fate, bioaccumulation, eco-toxicity, absorption, metabolism and toxicity. moreover, all organic constittuents that were pre-registered under REACH are included in the structure. endpoints have been modelled in three software systems Leadscope, CASE Ultra and SciQSAR. All applied models are documented QMRFs. With the battery approach that used here, it is possible to reduce noise from individual model estimates and thereby improve accurace and/or broaden the applicability domain.
GLP compliance:
not specified

Test material

Constituent 1
Reference substance name:
Hydrocarbons from waste rubbers and tires, thermo-mechanical depolymerisation condensate
Molecular formula:
unknown. explained in remark.
IUPAC Name:
Hydrocarbons from waste rubbers and tires, thermo-mechanical depolymerisation condensate
Test material form:
liquid
Details on test material:
Hydrocarbons from waste rubbers and tires, thermo-mechanical depolymerisation condensate

Results and discussion

% Degradation
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
Danish QSAR Battery approach (combining CASE Ultra, Leadscope, SciQSAR, Experimental) using actual GC/MS data and C>4 hydrocarbons data from EPI suite. The model predicts Not ready biodegradability items in applicability domain.
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Remarks:
Danish QSAR Battery approach (combining CASE Ultra, Leadscope, SciQSAR, Experimental) using actual GC/MS data and C>4 hydrocarbons data from EPI suite. The model predicts Not ready biodegradability items in applicability domain.
Details on results:
Danish QSAR Battery approach (combining CASE Ultra, Leadscope, SciQSAR, Experimental) using actual GC/MS data and C>4 hydrocarbons data from EPI suite. The model predicts Not ready biodegradability items in applicability domain (Positive = Not readily biodegradable). Therefore, two of the constituents were determined as not readily biodegradable. however, total concentration of not readily biodegradable constituents are less than 1,7 %.

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Remarks:
The valid Danish QSAR database, Battery model that integrates results from all models of CASE Ultra, Lead Scope, SciQSAR, Experimental is applied using actual GC-MS (and headspace) data as well as C>4 hydrocarbons from EPI Suite.
Interpretation of results:
other: Two of the constituents from set of actual constituents and C>4 data are determined as Not readily biodegradable according to battery approach in Danish QSAR data base. The two substances have total concentration less than 1,7 % w/w.
Conclusions:
Two of the constituents from set of actual constituents and C>4 data from EPI suite are determined as Not readily biodegradable according to battery approach using all models ( combining CASE Ultra, Leadscope, SciQSAR, Experimental). The two determined constituents have total concentration less than 1,7 % w/w.
Executive summary:

The valid Danish QSAR database, Battery model that integrates results from all models of CASE Ultra, Lead Scope, SciQSAR, Experimental is applied using actual analytical information of the intermediate substance, attached in the analytical information section that includes GC-MS (and headspace) data as well as C>4 hydrocarbons from EPI Suite. Due to complex combination of hydrocarbons as UVCB intermediate substance, the input data for Danish QSAR software was actual substance constituents using GC-MS (and headspace) as well as EPI suite available data for C>4 hydrocarbons to provide a comprehensive and reliable assesment that cover complete range of known and probable hydrocarbons. For each constituents in the QSAR database, available ready biodegradability test results according to EU and EPA guidlines are used. With the battery approach that used here, it is possible to reduce noise from individual model estimates and thereby improve accurace and/or broaden the applicability domain. The model predicts Not ready biodegradability in applicability domain (Positive = Not readily biodegradable). Therefore, two of the constituents were determined as not readily biodegradable. however, total concentration of not readily biodegradable constituents are less than 1,7 %.