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Diss Factsheets

Environmental fate & pathways

Biodegradation in water: screening tests

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Administrative data

Link to relevant study record(s)

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Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
June 2020
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 limited documentation / justification
Justification for type of information:
1. SOFTWARE
EPI Suite 2012

2. MODEL (incl. version number)
BIOWIN v4.10 (September 2010)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCC(CCC(=C)CCN(C)c2ccccc2)(COC(=O)CCN(C)c1ccccc1)COC(=O)C=C

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached justification

5. APPLICABILITY DOMAIN
See attached justification

6. ADEQUACY OF THE RESULT
See attached justification
Qualifier:
according to guideline
Guideline:
other: BIOWIN v. 4.10
Version / remarks:
2010
Deviations:
no
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Validity criteria fulfilled:
yes
Interpretation of results:
not readily biodegradable
Conclusions:
The test substance was predicted to be not readily biodegradable
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
June 2020
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 limited documentation / justification
Justification for type of information:
1. SOFTWARE
EPI Suite 2012

2. MODEL (incl. version number)
BIOWIN v4.10 (September 2010)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCC(COC(=O)CCN(C)c1ccccc1)(COC(=O)CCN(C)c2ccccc2)COC(=O)CCN(C)c3ccccc3

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached justification

5. APPLICABILITY DOMAIN
See attached justification

6. ADEQUACY OF THE RESULT
See attached justification
Qualifier:
according to guideline
Guideline:
other: BIOWIN v. 4.10
Version / remarks:
2010
Deviations:
no
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Validity criteria fulfilled:
yes
Interpretation of results:
not readily biodegradable
Conclusions:
The test substance was predicted to be not readily biodegradable
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
June 2020
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 limited documentation / justification
Justification for type of information:
1. SOFTWARE
EPI Suite 2012

2. MODEL (incl. version number)
BIOWIN v4.10 (September 2010)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCC(CO)(COC(=O)CCN(C)C1=CC=CC=C1)COC(=O)CCN(C)C1=CC=CC=C1

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached justification

5. APPLICABILITY DOMAIN
See attached justification

6. ADEQUACY OF THE RESULT
See attached justification
Qualifier:
according to guideline
Guideline:
other: BIOWIN v. 4.10
Version / remarks:
2010
Deviations:
no
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Validity criteria fulfilled:
yes
Interpretation of results:
not readily biodegradable
Conclusions:
The test substance was predicted to be not readily biodegradable
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
June 2020
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 limited documentation / justification
Justification for type of information:
1. SOFTWARE
EPI Suite 2012

2. MODEL (incl. version number)
BIOWIN v4.10 (September 2010)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCC(COC(=O)CCOC(=O)CCN(C)C1=CC=CC=C1)(COC(=O)CCN(C)C1=CC=CC=C1)COC(=O)CCN(C)C1=CC=CC=C1

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached justification

5. APPLICABILITY DOMAIN
See attached justification

6. ADEQUACY OF THE RESULT
See attached justification
Qualifier:
according to guideline
Guideline:
other: BIOWIN v. 4.10
Version / remarks:
2010
Deviations:
no
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Validity criteria fulfilled:
yes
Interpretation of results:
not readily biodegradable
Conclusions:
The test substance was predicted to be not readily biodegradable
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
June 2020
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 limited documentation / justification
Justification for type of information:
1. SOFTWARE
EPI Suite 2012

2. MODEL (incl. version number)
BIOWIN v4.10 (September 2010)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCC(COC(=O)CCN(C)C1=CC=CC=C1)(COC(=O)C=C)COC(=O)C=C

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached justification

5. APPLICABILITY DOMAIN
See attached justification

6. ADEQUACY OF THE RESULT
See attached justification
Qualifier:
according to guideline
Guideline:
other: BIOWIN v. 4.10
Version / remarks:
2010
Deviations:
no
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Validity criteria fulfilled:
yes
Interpretation of results:
not readily biodegradable
Conclusions:
The test substance was predicted to be not readily biodegradable
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
June 2020
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 limited documentation / justification
Justification for type of information:
1. SOFTWARE
EPI Suite 2012

2. MODEL (incl. version number)
BIOWIN v4.10 (September 2010)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCC(COCC(CC)(COC(=O)CCN(C)C1=CC=CC=C1)COC(=O)CCN(C)C1=CC=CC=C1)(COC(=O)CCOC(=O)C=C)COC(=O)CCN(C)C1=CC=CC=C1

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached justification

5. APPLICABILITY DOMAIN
See attached justification

6. ADEQUACY OF THE RESULT
See attached justification
Qualifier:
according to guideline
Guideline:
other: BIOWIN v. 4.10
Version / remarks:
2010
Deviations:
no
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Validity criteria fulfilled:
yes
Interpretation of results:
not readily biodegradable
Conclusions:
The test substance was predicted to be not readily biodegradable
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
June 2020
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 limited documentation / justification
Justification for type of information:
1. SOFTWARE
EPI Suite 2012

2. MODEL (incl. version number)
BIOWIN v4.10 (September 2010)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCC(COC(=O)CCOC(=O)C=C)(COC(=O)CCN(C)C1=CC=CC=C1)COC(=O)CCN(C)C1=CC=CC=C1

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached justification

5. APPLICABILITY DOMAIN
See attached justification

6. ADEQUACY OF THE RESULT
See attached justification
Qualifier:
according to guideline
Guideline:
other: BIOWIN v. 4.10
Version / remarks:
2010
Deviations:
no
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Validity criteria fulfilled:
yes
Interpretation of results:
not readily biodegradable
Conclusions:
The test substance was predicted to be not readily biodegradable
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
June 2020
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 limited documentation / justification
Justification for type of information:
1. SOFTWARE
EPI Suite 2012

2. MODEL (incl. version number)
BIOWIN v4.10 (September 2010)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCC(COCC(CC)(COC(=O)CCN(C)C1=CC=CC=C1)COC(=O)CCN(C)C1=CC=CC=C1)(COC(=O)CCOC(=O)CCN(C)C1=CC=CC=C1)COC(=O)CCN(C)C1=CC=CC=C1

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached justification

5. APPLICABILITY DOMAIN
See attached justification

6. ADEQUACY OF THE RESULT
See attached justification
Qualifier:
according to guideline
Guideline:
other: BIOWIN v. 4.10
Version / remarks:
2010
Deviations:
no
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Validity criteria fulfilled:
yes
Interpretation of results:
not readily biodegradable
Conclusions:
The test substance was predicted to be not readily biodegradable
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
June 2020
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 limited documentation / justification
Justification for type of information:
1. SOFTWARE
EPI Suite 2012

2. MODEL (incl. version number)
BIOWIN v4.10 (September 2010)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCC(CO)(COC(=O)CCN(C)C1=CC=CC=C1)COC(=O)C=C

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached justification

5. APPLICABILITY DOMAIN
See attached justification

6. ADEQUACY OF THE RESULT
See attached justification
Qualifier:
according to guideline
Guideline:
other: BIOWIN v. 4.10
Version / remarks:
2010
Deviations:
no
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Validity criteria fulfilled:
yes
Interpretation of results:
not readily biodegradable
Conclusions:
The test substance was predicted to be not readily biodegradable
Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
June 2020
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 limited documentation / justification
Justification for type of information:
1. SOFTWARE
EPI Suite 2012

2. MODEL (incl. version number)
BIOWIN v4.10 (September 2010)

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CNC1=CC=CC=C1

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached justification

5. APPLICABILITY DOMAIN
See attached justification

6. ADEQUACY OF THE RESULT
See attached justification
Qualifier:
according to guideline
Guideline:
other: BIOWIN v. 4.10
Version / remarks:
2010
Deviations:
no
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Validity criteria fulfilled:
yes
Interpretation of results:
not readily biodegradable
Conclusions:
The test substance was predicted to be not readily biodegradable

Description of key information

Results derived from a valid (Q)SAR model

Key value for chemical safety assessment

Biodegradation in water:
not biodegradable
Type of water:
freshwater

Additional information