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Environmental fate & pathways

Biodegradation in water: screening tests

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Endpoint:
biodegradation in water: screening tests
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2017-11-21 to 2017-11-21
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: Oc1ccc2C=CC(=O)Oc2c1
- MOL FOR: C9 H6 O3
- MOL WT: 162.15
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
not applicable
Details on study design:
not applicable
Preliminary study:
not applicable
Test performance:
not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
readily biodegradable based on QSAR/QSPR prediction
Details on results:
Biowin 1 (linear model prediction) = Biodegrades Fast
Biowin 2 (non-linear model prediction) = Biodegrades Fast
Biowin 3 (ultimate biodegradation timeframe) = Weeks
Biowin 4 (Primary biodegradation timeframe) = Days
Biowin 5 (MITI linear model prediction) = Readily Degradable
Biowin 6 (MITI non-linear model prediction) = Readily Degradable
Biowin 7 (Anaerobic model prediction) = Biodegrades Fast
Ready Biodegradability Prediction: YES
Results with reference substance:
not applicable

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
readily biodegradable
Conclusions:
It is expected that the substance is 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 assessed substance is readily biodegradable.

Endpoint:
biodegradation in water: screening tests
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2017-11-21 to 2017-11-21
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: CC1CCC(C12CC=C(C(=O)C2)C)C(C)C
- MOL FOR: C15 H24 O1
- MOL WT: 220.36
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
not applicable
Details on study design:
not applicable
Preliminary study:
not applicable
Test performance:
not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Details on results:
Biowin 1 (linear model prediction) = Does Not Biodegrade Fast
Biowin 2 (non-linear model prediction) = Does Not Biodegrade Fast
Biowin 3 (ultimate biodegradation timeframe) = Weeks-Months
Biowin 4 (Primary biodegradation timeframe) = Days-Weeks
Biowin 5 (MITI linear model prediction) = Not Readily Degradable
Biowin 6 (MITI non-linear model prediction) = Not Readily Degradable
Biowin 7 (Anaerobic model prediction) = Does not Biodegrade Fast
Ready Biodegradability Prediction: NO
Results with reference substance:
not applicable

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
not readily biodegradable
Conclusions:
It is expected that the substance is 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 assessed substance is not readily biodegradable.

Endpoint:
biodegradation in water: screening tests
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2017-11-21 to 2017-11-21
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: OC(C(CCC(=C(C1C(C2)C)C2)C)C1)(C)C
- MOL FOR: C15 H26 O1
- MOL WT: 222.37
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
not applicable
Details on study design:
not applicable
Preliminary study:
not applicable
Test performance:
not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Details on results:
Biowin 1 (linear model prediction) = Does Not Biodegrade Fast
Biowin 2 (non-linear model prediction) = Does Not Biodegrade Fast
Biowin 3 (ultimate biodegradation timeframe) = Weeks-Months
Biowin 4 (Primary biodegradation timeframe) = Days-Weeks
Biowin 5 (MITI linear model prediction) = Not Readily Degradable
Biowin 6 (MITI non-linear model prediction) = Not Readily Degradable
Biowin 7 (Anaerobic model prediction) = Does not Biodegrade Fast
Ready Biodegradability Prediction: NO
Results with reference substance:
not applicable

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
not readily biodegradable
Conclusions:
It is expected that the substance is 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 assessed substance is not readily biodegradable.

Endpoint:
biodegradation in water: screening tests
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2017-11-21 to 2017-11-21
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: OC(C(CCC(C(=C1C(C2)C)C2)C)C1)(C)C
- MOL FOR: C15 H26 O1
- MOL WT: 222.37
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
not applicable
Details on study design:
not applicable
Preliminary study:
not applicable
Test performance:
not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Details on results:
Biowin 1 (linear model prediction) = Does Not Biodegrade Fast
Biowin 2 (non-linear model prediction) = Does Not Biodegrade Fast
Biowin 3 (ultimate biodegradation timeframe) = Weeks-Months
Biowin 4 (Primary biodegradation timeframe) = Days-Weeks
Biowin 5 (MITI linear model prediction) = Not Readily Degradable
Biowin 6 (MITI non-linear model prediction) = Not Readily Degradable
Biowin 7 (Anaerobic model prediction) = Does not Biodegrade Fast
Ready Biodegradability Prediction: NO
Results with reference substance:
not applicable

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
not readily biodegradable
Conclusions:
It is expected that the substance is 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 assessed substance is not readily biodegradable.

Endpoint:
biodegradation in water: screening tests
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2017-11-21 to 2017-11-21
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: CC(C)C1CCC(C)(C=C)C(C(C)=C)C1O
- MOL FOR: C15 H26 O1
- MOL WT: 222.37
Oxygen conditions:
not specified
Inoculum or test system:
not specified
Details on inoculum:
not applicable
Details on study design:
not applicable
Preliminary study:
not applicable
Test performance:
not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Details on results:
Biowin 1 (linear model prediction) = Biodegrades Fast
Biowin 2 (non-linear model prediction) = Does Not Biodegrade Fast
Biowin 3 (ultimate biodegradation timeframe) = Weeks-Months
Biowin 4 (Primary biodegradation timeframe) = Days-Weeks
Biowin 5 (MITI linear model prediction) = Not Readily Degradable
Biowin 6 (MITI non-linear model prediction) = Not Readily Degradable
Biowin 7 (Anaerobic model prediction) = Does not Biodegrade Fast
Ready Biodegradability Prediction: NO
Results with reference substance:
not applicable

Please see the attached documents.

Validity criteria fulfilled:
not applicable
Interpretation of results:
not readily biodegradable
Conclusions:
It is expected that the substance is 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 assessed substance is not readily biodegradable.

Description of key information

Based on a weight of evidence approach with data on main constituents, the registered substance cannot be considered as 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 main constituents of the substance are provided in the table below:

Constituents

CAS No

% ranges*

Biodegradation results

Reference

Beta-pinene

 127 -91 -3

10 - 13

Readily Biodegradable

 ECHA, disseminated dossier of beta-pinene EC number 242 -060 -2 (consulted on November 2017)

Acorenone B

5956 -05 -8

0 - 11.5

Not Readily Biodegradable

QSAR, BioWin v4.10

7 -hydroxycoumarin

93 -35 -6

0 - 3

Readily Biodegradable

QSAR, BioWin v4.10

Cyclohexanol, 3-ethenyl-3-methyl-2-(1-methylethenyl)-6-(1-methylethyl)- / other name: shyobunol

35727 -45 -8

0 - 3

Not Readily Biodegradable

QSAR, BioWin v4.10

Bulnesol 22451 -73 -6 0 - 3 Not Readily Biodegradable QSAR, BioWin v4.10
Guaiol 489 -86 -1 0 - 3 Not Readily Biodegradable QSAR, BioWin v4.10

* % ranges have been taken from the SIP of the substance. Only main constituents (> 1% based on upper value of the range) were taken into account for this assessment.

Regarding these ranges, the unknown part of the NCS composition remains high.

With data on individual constituents, it is not possible to consider that the substance is readily biodegradable, because of a lack of data at the whole substance scale.

By default, the substance is therefore considered not readily biodegradable.