Registration Dossier
Registration Dossier
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EC number: 946-414-3 | CAS number: -
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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.
Referenceopen allclose all
Please see the attached documents.
Please see the attached documents.
Please see the attached documents.
Please see the attached documents.
Please see the attached documents.
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.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
