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Environmental fate & pathways

Biodegradation in water: screening tests

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Endpoint:
biodegradation in water: screening test, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2019-12-11 to 2019-12-11
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
Remarks:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, is well documented with regard to validation parameters according to OECD principles. Moreover, the substance is fully characterised towards the applicability domain.
Justification for type of information:
QSAR prediction.
Qualifier:
according to
Guideline:
other: Reach Guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
QSAR, Biowin v4.10. More details are given in QMRF/QPRF attached to the dossier.
GLP compliance:
no
Specific details on test material used for the study:
SMILES : O=C(O)CCCCCCCCCCCCCCCCCCC
CHEM : Eicosanoic acid
MOL FOR: C20 H40 O2
MOL WT : 312.54
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
Not relevant.
Details on study design:
Not relevant.
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
readily biodegradable based on QSAR/QSPR prediction
Results with reference substance:
Not applicable.

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
readily biodegradable
Conclusions:
The substance is expected to be readily biodegradable.
Executive summary:

The ready biodegradation property of the substance was investigated using QSAR approach with Biowin v4.10 plug-in from EPISUITE v4.1 from US EPA.

It's expected that the test item is readily biodegradable.

Endpoint:
biodegradation in water: screening test, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2019-12-05 to 2019-12-05
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
Remarks:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, is well documented with regard to validation parameters according to OECD principles. Moreover, the substance is fully characterised towards the applicability domain.
Justification for type of information:
QSAR prediction.
Qualifier:
according to
Guideline:
other: Reach Guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
QSAR, Biowin v4.10. More details are given in QMRF/QPRF attached to the dossier.
GLP compliance:
no
Specific details on test material used for the study:
None.
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
Not relevant.
Details on study design:
Not relevant.
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
readily biodegradable based on QSAR/QSPR prediction
Results with reference substance:
Not applicable.

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
readily biodegradable
Conclusions:
The substance is expected to be readily biodegradable.
Executive summary:

The ready biodegradation property of the substance was investigated using QSAR approach with Biowin v4.10 plug-in from EPISUITE v4.1 from US EPA.

It's expected that the test item is readily biodegradable.

Endpoint:
biodegradation in water: screening test, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2019-12-11 to 2019-12-11
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
Remarks:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, is well documented with regard to validation parameters according to OECD principles. Moreover, the substance is fully characterised towards the applicability domain.
Justification for type of information:
QSAR prediction.
Qualifier:
according to
Guideline:
other: Reach Guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
QSAR, Biowin v4.10. More details are given in QMRF/QPRF attached to the dossier.
GLP compliance:
no
Specific details on test material used for the study:
SMILES : O=C(O)CCCCCCCCCCCCC
CHEM : Tetradecanoic acid
MOL FOR: C14 H28 O2
MOL WT : 228.38



Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
Not relevant.
Details on study design:
Not relevant.
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
readily biodegradable based on QSAR/QSPR prediction
Results with reference substance:
Not applicable.

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
readily biodegradable
Conclusions:
The substance is expected to be readily biodegradable.
Executive summary:

The ready biodegradation property of the substance was investigated using QSAR approach with Biowin v4.10 plug-in from EPISUITE v4.1 from US EPA.

It's expected that the test item is readily biodegradable.

Endpoint:
biodegradation in water: screening test, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2019-12-11 to 2019-12-11
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
Remarks:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, is well documented with regard to validation parameters according to OECD principles. Moreover, the substance is fully characterised towards the applicability domain.
Justification for type of information:
QSAR prediction.
Qualifier:
according to
Guideline:
other: Reach Guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
QSAR, Biowin v4.10. More details are given in QMRF/QPRF attached to the dossier.
GLP compliance:
no
Specific details on test material used for the study:
None.
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
Not relevant.
Details on study design:
Not relevant.
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Results with reference substance:
Not applicable.

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
not readily biodegradable
Conclusions:
The substance is expected to be not readily biodegradable.
Executive summary:

The ready biodegradation property of the substance was investigated using QSAR approach with Biowin v4.10 plug-in from EPISUITE v4.1 from US EPA.

It's expected that the test item is not readily biodegradable.

Endpoint:
biodegradation in water: screening test, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2019-12-05 to 2019-12-05
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
Remarks:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, is well documented with regard to validation parameters according to OECD principles. Moreover, the substance is fully characterised towards the applicability domain.
Justification for type of information:
QSAR prediction.
Qualifier:
according to
Guideline:
other: Reach Guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
QSAR, Biowin v4.10. More details are given in QMRF/QPRF attached to the dossier.
GLP compliance:
no
Specific details on test material used for the study:
None.
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
Not relevant.
Details on study design:
Not relevant.
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
readily biodegradable based on QSAR/QSPR prediction
Results with reference substance:
Not applicable.

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
readily biodegradable
Conclusions:
The substance is expected to be readily biodegradable.
Executive summary:

The ready biodegradation property of the substance was investigated using QSAR approach with Biowin v4.10 plug-in from EPISUITE v4.1 from US EPA.

It's expected that the test item is readily biodegradable.

Endpoint:
biodegradation in water: screening test, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2019-12-05 to 2019-12-05
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
Remarks:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, is well documented with regard to validation parameters according to OECD principles. Moreover, the substance is fully characterised towards the applicability domain.
Justification for type of information:
QSAR prediction.
Qualifier:
according to
Guideline:
other: Reach Guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
QSAR, Biowin v4.10. More details are given in QMRF/QPRF attached to the dossier.
GLP compliance:
no
Specific details on test material used for the study:
None.
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
Not relevant.
Details on study design:
Not relevant.
Preliminary study:
Not relevant.
Test performance:
Not relevant.
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
readily biodegradable based on QSAR/QSPR prediction
Details on results:
See QPRF.
Results with reference substance:
Not applicable.

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
readily biodegradable
Conclusions:
The substance is expected to be readily biodegradable.
Executive summary:

The ready biodegradation property of the substance was investigated using QSAR approach with Biowin v4.10 plug-in from EPISUITE v4.1 from US EPA.

It's expected that the test item is readily biodegradable.

Endpoint:
biodegradation in water: screening test, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2019-12-11 to 2019-12-11
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
Remarks:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, is well documented with regard to validation parameters according to OECD principles. Moreover, the substance is fully characterised towards the applicability domain.
Justification for type of information:
QSAR prediction.
Qualifier:
according to
Guideline:
other: Reach Guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
QSAR, Biowin v4.10. More details are given in QMRF/QPRF attached to the dossier.
GLP compliance:
no
Specific details on test material used for the study:
SMILES : C=C(C=C)CCCC(CCCC(CCCC(C)C)C)C
CHEM : NEOPHYTADIENE
MOL FOR: C20 H38
MOL WT : 278.53
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
Not relevant.
Details on study design:
Not relevant.
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Results with reference substance:
Not applicable.

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
not readily biodegradable
Conclusions:
The substance is expected to be not readily biodegradable.
Executive summary:

The ready biodegradation property of the substance was investigated using QSAR approach with Biowin v4.10 plug-in from EPISUITE v4.1 from US EPA.

It's expected that the test item is not readily biodegradable.

Endpoint:
biodegradation in water: screening test, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2019-12-05 to 2019-12-05
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
Remarks:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, is well documented with regard to validation parameters according to OECD principles. Moreover, the substance is fully characterised towards the applicability domain.
Justification for type of information:
QSAR prediction.
Qualifier:
according to
Guideline:
other: Reach Guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
QSAR, Biowin v4.10. More details are given in QMRF/QPRF attached to the dossier.
GLP compliance:
no
Specific details on test material used for the study:
None.
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
Not relevant.
Details on study design:
Not relevant.
Preliminary study:
Not relevant.
Test performance:
Not relevant.
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
readily biodegradable based on QSAR/QSPR prediction
Details on results:
See QPRF.
Results with reference substance:
Not applicable.

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
readily biodegradable
Conclusions:
The substance is expected to be readily biodegradable.
Executive summary:

The ready biodegradation property of the substance was investigated using QSAR approach with Biowin v4.10 plug-in from EPISUITE v4.1 from US EPA.

It's expected that the test item is readily biodegradable.

Endpoint:
biodegradation in water: screening test, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2019-12-05 to 2019-12-05
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
Remarks:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, is well documented with regard to validation parameters according to OECD principles. Moreover, the substance is fully characterised towards the applicability domain.
Justification for type of information:
QSAR prediction.
Qualifier:
according to
Guideline:
other: Reach Guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
QSAR, Biowin v4.10. More details are given in QMRF/QPRF attached to the dossier.
GLP compliance:
no
Specific details on test material used for the study:
None.
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
Not relevant.
Details on study design:
Not relevant.
Preliminary study:
Not relevant.
Test performance:
Not relevant.
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
readily biodegradable based on QSAR/QSPR prediction
Details on results:
See QPRF.
Results with reference substance:
Not applicable.

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
readily biodegradable
Conclusions:
The substance is expected to be readily biodegradable.
Executive summary:

The ready biodegradation property of the substance was investigated using QSAR approach with Biowin v4.10 plug-in from EPISUITE v4.1 from US EPA.

It's expected that the test item is readily biodegradable.

Endpoint:
biodegradation in water: screening test, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2019-12-05 to 2019-12-05
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
Remarks:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, is well documented with regard to validation parameters according to OECD principles. Moreover, the substance is fully characterised towards the applicability domain.
Justification for type of information:
QSAR prediction.
Qualifier:
according to
Guideline:
other: Reach Guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
QSAR, Biowin v4.10. More details are given in QMRF/QPRF attached to the dossier.
GLP compliance:
no
Specific details on test material used for the study:
None.
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
Not relevant.
Details on study design:
Not relevant.
Preliminary study:
Not relevant.
Test performance:
Not relevant.
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
readily biodegradable based on QSAR/QSPR prediction
Details on results:
See QPRF.
Results with reference substance:
Not applicable.

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
readily biodegradable
Conclusions:
The substance is expected to be readily biodegradable.
Executive summary:

The ready biodegradation property of the substance was investigated using QSAR approach with Biowin v4.10 plug-in from EPISUITE v4.1 from US EPA.

It's expected that the test item is readily biodegradable.

Endpoint:
biodegradation in water: screening test, other
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2019-12-03 to 2019-12-03
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
Remarks:
The value is not an experimental result, however the QSAR model is recommended by the ECHA guidance document on information requirements, is well documented with regard to validation parameters according to OECD principles. Moreover, the substance is fully characterised towards the applicability domain.
Justification for type of information:
QSAR prediction.
Qualifier:
according to
Guideline:
other: Reach Guidance on QSAR - R.6
Deviations:
no
Principles of method if other than guideline:
QSAR, Biowin v4.10. More details are given in QMRF/QPRF attached to the dossier.
GLP compliance:
no
Specific details on test material used for the study:
None.
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
Not relevant.
Details on study design:
Not relevant.
Preliminary study:
See QPRF.
Test performance:
See QPRF.
Key result
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
readily biodegradable based on QSAR/QSPR prediction
Details on results:
See QPRF.
Results with reference substance:
Not applicable.

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
readily biodegradable
Conclusions:
The substance is expected to be readily biodegradable.
Executive summary:

The ready biodegradation property of the substance was investigated using QSAR approach with Biowin v4.10 plug-in from EPISUITE v4.1 from US EPA.

It's expected that the test item is readily biodegradable.

Description of key information

Based on a weight of evidence approach with data on constituents, the registered substance can not be considered readily biodegradable.

Key value for chemical safety assessment

Biodegradation in water:
under test conditions no biodegradation observed

Additional information

Individual data about the ready biodegradability of the major known constituents of the substance are provided in the table below:

Constituent Concentration % in the NCS Biodegradation results
Constituent 1 17.1 Not readily biodegradable
Constituent 2 1.77 Not readily biodegradable
Constituent 3 7.53 Readily biodegradable
Constituent 4 16.12 Readily biodegradable
Constituent 5 4.38 Readily biodegradable
Constituent 6 1.41 Readily biodegradable
Constituent 7 9.73 Readily biodegradable
Constituent 8 8.47 Readily biodegradable
Constituent 9 12.44 Readily biodegradable
Constituent 10 1.09 Readily biodegradable
Constituent 11 1.75 Readily biodegradable

Based on the typical composition, 81.79% of the NCS is considered as known.

With a minimum theoric biodegradation of 60% of DOC for each readily biodegradable constituent (minimum pass level during a test for ready biodegradability according to OECD guidance 301) , a minimum of 37.75% of DOC of the NCS would be biodegraded during a screening test on ready biodegradability (based on typical composition).

Thus, the NCS can not be considered as being readily biodegradable.