CASOIL

Biodegradation in water: screening tests

Administrative data

Endpoint:

biodegradation in water: ready biodegradability

Type of information:

(Q)SAR

Remarks:

The valid Danish QSAR database based on EPI suite BIOWIN 3 and BIOWIN 5 version 4.1 is applied using actual GC-MS (and headspace) data of the UVCB substance as well as C>4 hydrocarbons data from EPI Suite to cover all known and probable hydrocarbons.

Adequacy of study:

supporting study

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:

According to ECHA technical documents, valid Danish QSAR database (DTU) and EPI Suite using BIOWIN 3 version 4.1 AND BIOWIN 5 version 4.1 is applied based on 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 company data

Title:

Unnamed

Year:

2019

Report date:

2019

Materials and methods

Test guideline

Qualifier:

no guideline required

Version / remarks:

Valid Danish QSAR (DTU) is applied that employs BIOWIN 3 and BIOWIN 5 models from EPI suite. The input data to the model is actual analytical information of the UVCB substance in addition to C>4 hydrocarbons data to cover known and probable hydrocarbons.

Principles of method if other than guideline:

The valid Danish QSAR database using EPI suite BIOWIN 3 and BIOWIN 5 version 4.1 is applied based on actual analytical information of the intermediate substance as attached in the analytical information section including GC-MS (and headspace) data combined with C>4 hydrocarbons data 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.

Test material

Test material information

Constituent 1

Reference substance name:

Hydrocarbons from mixed waste plastics, thermo-mechanical depolymerization condensate

Molecular formula:

C5-C29

IUPAC Name:

Hydrocarbons from mixed waste plastics, thermo-mechanical depolymerization condensate

Test material form:

liquid

Details on test material:

Hydrocarbons from mixed waste plastics, thermo-mechanical depolymerization condensate. It is a complex combination of hydrocarbons as described in section one.

Results and discussion

% Degradation

Key result

Parameter:

probability of ready biodegradability (QSAR/QSPR)

Remarks:

According to ECHA technical documents, BIOWIN 3 (value <2.75) AND BIOWIN 5 ( value<5) applied on identified constituents plus C>4 hydrocarbons data from EPI suite to identify constituents in the UVCB substance that are not ready biodegradable.

Remarks on result:

other: less than 10% of the UVCB substance is not ready biodegradable and the rest can be considered readily biodegradable.

Remarks:

BIOWIN 3 (value <2.75) AND BIOWIN 5 ( value< 0.5) applied on constituents plus C>4 hydrocarbons from EPI suite.

Details on results:

Valid Danish QSAR databased using EPI suite BIOWIN 3 (<0.2.75) AND BIOWIN 5 ( <5) has been applied on set of identified constituents plus C>4 hydrocarbons from EPI suite to determine constituents that are not readily biodegradable. Result of BIOWIN 3 AND BIOWIN 5 models lead to four constituents that make a total of less than 10% of the UVCB substance.

Applicant's summary and conclusion

Validity criteria fulfilled:

not applicable

Remarks:

The valid Danish QSAR database using EPI suite BIOWIN 3 and BIOWIN 5 version 4.1 is applied based on actual GC-MS (and headspace) data plus C>4 hydrocarbons from EPI Suite.

Interpretation of results:

other: Result of BIOWIN 3 AND BIOWIN 5 models lead to four constituents that are not ready biodegradable and make less than 10% of the total UVCB substance.

Conclusions:

Based on Valid Danish QSAR databased using EPI suite BIOWIN 3 (<0.2.75) AND BIOWIN 5 ( <5), only four constituents that make a total of less than 10% of the UVCB substance are not ready biodegradable.

Executive summary:

The valid Danish QSAR database and EPI suite BIOWIN 3 and BIOWIN 5 version 4.1 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 representative data from EPI Suite. Due to complex combination of hydrocarbons as UVCB intermediate substance, the input data for Danish QSAR was actual substance constituents using GC-MS (and headspace) as well as EPI suite available data for C>4 hydrocarbons to provide a comprehensive assesment that covers complete range of known and probable hydrocarbons. For each constituents in the QSAR database, available ready biodegradability test results according to EU and EPA guidelines are used. Therefore, Four of the constituents were determined with BIOWIN 3 < 2.75 OR BIOWIN 5 < 0.5 that are predicted to be Not ready biodegradable. However, total concentration of the Not ready biodegradable constituents are less than 10%.