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EC number: 291-443-0 | CAS number: 90411-66-8
Environmental fate & pathways
Biodegradation in water: screening tests
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Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- May 2018
- 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:
- 1. SOFTWARE
EPISUITE
2. MODEL (incl. version number)
BIOWIN v4.10 (September 2010)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCCCCCCCCCCOC(=O)C(CC)CCCC
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint:
Ready Biodegradability Prediction
- Unambiguous algorithm:
The algorithms and methodologies of the constituent models within the BIOWIN prediction are too complex to summarise in this section. Full details of the algorithms and methods used are detailed in the BIOWIN Linear-NonLinear Models.pdf, BIOWIN Ultimate-Primary Models.pdf, BIOWIN MITI Models.pdf, and BIOWIN Anaerobic models.pdf (appended).
- Defined domain of applicability:
The domain of applicability for each of the constituent models is detailed in the appended information BIOWIN Linear-NonLinear Models.pdf, BIOWIN Ultimate-Primary Models.pdf, BIOWIN MITI Models.pdf, and BIOWIN Anaerobic models.pdf
5. APPLICABILITY DOMAIN
The domain of applicability for each of the constituent models is detailed in the appended information BIOWIN Linear-NonLinear Models.pdf, BIOWIN Ultimate-Primary Models.pdf, BIOWIN MITI Models.pdf, and BIOWIN Anaerobic models.pdf
6. ADEQUACY OF THE RESULT
The QSAR model has been run on all constituents of the substance, and has returned the same result. The substance is within the applicability domain of the QSAR and is reproted in full. The result is considered to represent an adeqate indication of the ready biodegradability potential of the substance. - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The QSAR model was used as preliminary ready biodegradability tests indicated that additional method development was required to accurately model the ready biodegradability of the substance by experimental means. The substance falls within the applicability domain of the QSAR. All constituents modeled have substantially similar results. The model has been fully validated by a reputable government agency. The result is therefore
considered adequatly reliable for use as the basis of the classification and labelling and PBT/vPvB assessment. - GLP compliance:
- no
- Remarks:
- GLP not applicable to QSAR result. Full results and methods have been reported.
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The substance is predicted to be readily biodegradable.
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- May 2018
- 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:
- 1. SOFTWARE
EPISUITE
2. MODEL (incl. version number)
BIOWIN v4.10 (September 2010)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCCCCCCCCCCOC(=O)C(CC)CCCC
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint:
Ready Biodegradability Prediction
- Unambiguous algorithm:
The algorithms and methodologies of the constituent models within the BIOWIN prediction are too complex to summarise in this section. Full details of the algorithms and methods used are detailed in the BIOWIN Linear-NonLinear Models.pdf, BIOWIN Ultimate-Primary Models.pdf, BIOWIN MITI Models.pdf, and BIOWIN Anaerobic models.pdf (appended).
- Defined domain of applicability:
The domain of applicability for each of the constituent models is detailed in the appended information BIOWIN Linear-NonLinear Models.pdf, BIOWIN Ultimate-Primary Models.pdf, BIOWIN MITI Models.pdf, and BIOWIN Anaerobic models.pdf
5. APPLICABILITY DOMAIN
The domain of applicability for each of the constituent models is detailed in the appended information BIOWIN Linear-NonLinear Models.pdf, BIOWIN Ultimate-Primary Models.pdf, BIOWIN MITI Models.pdf, and BIOWIN Anaerobic models.pdf
6. ADEQUACY OF THE RESULT
The QSAR model has been run on all constituents of the substance, and has returned the same result. The substance is within the applicability domain of the QSAR and is reproted in full. The result is considered to represent an adeqate indication of the ready biodegradability potential of the substance. - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The QSAR model was used as preliminary ready biodegradability tests indicated that additional method development was required to accurately model the ready biodegradability of the substance by experimental means. The substance falls within the applicability domain of the QSAR. All constituents modeled have substantially similar results. The model has been fully validated by a reputable government agency. The result is therefore
considered adequatly reliable for use as the basis of the classification and labelling and PBT/vPvB assessment. - GLP compliance:
- no
- Remarks:
- GLP not applicable to QSAR result. Full results and methods have been reported.
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The substance is predicted to be readily biodegradable.
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- May 2018
- 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:
- 1. SOFTWARE
EPISUITE
2. MODEL (incl. version number)
BIOWIN v4.10 (September 2010)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCCCCCCCCCCOC(=O)C(CC)CCCC
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint:
Ready Biodegradability Prediction
- Unambiguous algorithm:
The algorithms and methodologies of the constituent models within the BIOWIN prediction are too complex to summarise in this section. Full details of the algorithms and methods used are detailed in the BIOWIN Linear-NonLinear Models.pdf, BIOWIN Ultimate-Primary Models.pdf, BIOWIN MITI Models.pdf, and BIOWIN Anaerobic models.pdf (appended).
- Defined domain of applicability:
The domain of applicability for each of the constituent models is detailed in the appended information BIOWIN Linear-NonLinear Models.pdf, BIOWIN Ultimate-Primary Models.pdf, BIOWIN MITI Models.pdf, and BIOWIN Anaerobic models.pdf
5. APPLICABILITY DOMAIN
The domain of applicability for each of the constituent models is detailed in the appended information BIOWIN Linear-NonLinear Models.pdf, BIOWIN Ultimate-Primary Models.pdf, BIOWIN MITI Models.pdf, and BIOWIN Anaerobic models.pdf
6. ADEQUACY OF THE RESULT
The QSAR model has been run on all constituents of the substance, and has returned the same result. The substance is within the applicability domain of the QSAR and is reproted in full. The result is considered to represent an adeqate indication of the ready biodegradability potential of the substance. - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The QSAR model was used as preliminary ready biodegradability tests indicated that additional method development was required to accurately model the ready biodegradability of the substance by experimental means. The substance falls within the applicability domain of the QSAR. All constituents modeled have substantially similar results. The model has been fully validated by a reputable government agency. The result is therefore
considered adequatly reliable for use as the basis of the classification and labelling and PBT/vPvB assessment. - GLP compliance:
- no
- Remarks:
- GLP not applicable to QSAR result. Full results and methods have been reported.
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The substance is predicted to be readily biodegradable.
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- May 2018
- 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:
- 1. SOFTWARE
EPISUITE
2. MODEL (incl. version number)
BIOWIN v4.10 (September 2010)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCCCCCCCCCCOC(=O)C(CC)CCCC
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint:
Ready Biodegradability Prediction
- Unambiguous algorithm:
The algorithms and methodologies of the constituent models within the BIOWIN prediction are too complex to summarise in this section. Full details of the algorithms and methods used are detailed in the BIOWIN Linear-NonLinear Models.pdf, BIOWIN Ultimate-Primary Models.pdf, BIOWIN MITI Models.pdf, and BIOWIN Anaerobic models.pdf (appended).
- Defined domain of applicability:
The domain of applicability for each of the constituent models is detailed in the appended information BIOWIN Linear-NonLinear Models.pdf, BIOWIN Ultimate-Primary Models.pdf, BIOWIN MITI Models.pdf, and BIOWIN Anaerobic models.pdf
5. APPLICABILITY DOMAIN
The domain of applicability for each of the constituent models is detailed in the appended information BIOWIN Linear-NonLinear Models.pdf, BIOWIN Ultimate-Primary Models.pdf, BIOWIN MITI Models.pdf, and BIOWIN Anaerobic models.pdf
6. ADEQUACY OF THE RESULT
The QSAR model has been run on all constituents of the substance, and has returned the same result. The substance is within the applicability domain of the QSAR and is reproted in full. The result is considered to represent an adeqate indication of the ready biodegradability potential of the substance. - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The QSAR model was used as preliminary ready biodegradability tests indicated that additional method development was required to accurately model the ready biodegradability of the substance by experimental means. The substance falls within the applicability domain of the QSAR. All constituents modeled have substantially similar results. The model has been fully validated by a reputable government agency. The result is therefore
considered adequatly reliable for use as the basis of the classification and labelling and PBT/vPvB assessment. - GLP compliance:
- no
- Remarks:
- GLP not applicable to QSAR result. Full results and methods have been reported.
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The substance is predicted to be readily biodegradable.
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- May 2018
- 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:
- 1. SOFTWARE
EPISUITE
2. MODEL (incl. version number)
BIOWIN v4.10 (September 2010)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCCCCCCCCCCOC(=O)C(CC)CCCC
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint:
Ready Biodegradability Prediction
- Unambiguous algorithm:
The algorithms and methodologies of the constituent models within the BIOWIN prediction are too complex to summarise in this section. Full details of the algorithms and methods used are detailed in the BIOWIN Linear-NonLinear Models.pdf, BIOWIN Ultimate-Primary Models.pdf, BIOWIN MITI Models.pdf, and BIOWIN Anaerobic models.pdf (appended).
- Defined domain of applicability:
The domain of applicability for each of the constituent models is detailed in the appended information BIOWIN Linear-NonLinear Models.pdf, BIOWIN Ultimate-Primary Models.pdf, BIOWIN MITI Models.pdf, and BIOWIN Anaerobic models.pdf
5. APPLICABILITY DOMAIN
The domain of applicability for each of the constituent models is detailed in the appended information BIOWIN Linear-NonLinear Models.pdf, BIOWIN Ultimate-Primary Models.pdf, BIOWIN MITI Models.pdf, and BIOWIN Anaerobic models.pdf
6. ADEQUACY OF THE RESULT
The QSAR model has been run on all constituents of the substance, and has returned the same result. The substance is within the applicability domain of the QSAR and is reproted in full. The result is considered to represent an adeqate indication of the ready biodegradability potential of the substance. - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The QSAR model was used as preliminary ready biodegradability tests indicated that additional method development was required to accurately model the ready biodegradability of the substance by experimental means. The substance falls within the applicability domain of the QSAR. All constituents modeled have substantially similar results. The model has been fully validated by a reputable government agency. The result is therefore
considered adequatly reliable for use as the basis of the classification and labelling and PBT/vPvB assessment. - GLP compliance:
- no
- Remarks:
- GLP not applicable to QSAR result. Full results and methods have been reported.
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Remarks on result:
- readily biodegradable based on QSAR/QSPR prediction
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- readily biodegradable
- Conclusions:
- The substance is predicted to be readily biodegradable.
Referenceopen allclose all
Description of key information
The key information was calculated using a validated QSAR model for each of the constituent parts of the UVCB substance. This was considered the most accurate way of indicating the biodegradation potential while experimental testing is conducted.
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
- Type of water:
- freshwater
Additional information
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.
