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Environmental fate & pathways

Biodegradation in water: screening tests

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Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Episuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:

BIOWIN 2 =  nonlinear probability model
BIOWIN 3  =  expert survey ultimate biodegradation model
BIOWIN 5  =  MITI linear model
BIOWIN 6  =  MITI nonlinear model

Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).

The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches.
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
Not applicable
Based on:
other: QSAR calculation
Parameter followed for biodegradation estimation:
other: QSAR calculation
Details on study design:
Not applicable
Preliminary study:
Not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 2
Value:
2
Remarks on result:
other: Result from QSAR prediction
Parameter:
calculated rating of total degradation time (QSAR/QSPR)
Remarks:
BIOWIN 3
Value:
2.44
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 5
Value:
0.434
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 6
Value:
0.73
Remarks on result:
other: Result from QSAR prediction
Details on results:
BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Results with reference substance:
Not applicable
Validity criteria fulfilled:
not applicable
Conclusions:
BIOWIN models 2 and 6 predict that this constituent is biodegradable and BIOWIN models 3 and 5 predict that this constituent is not biodegradable.
Executive summary:

The predictions of ready biodegradability of representative constituents of this category have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). BIOWIN models 2 and 6 predict that Benzene is biodegradable, and BIOWIN models 3 and 5 predict that Benzene is not biodegradable.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Episuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:

BIOWIN 2 =  nonlinear probability model
BIOWIN 3  =  expert survey ultimate biodegradation model
BIOWIN 5  =  MITI linear model
BIOWIN 6  =  MITI nonlinear model

Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).

The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches.
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
Not applicable
Based on:
other: QSAR calculation
Parameter followed for biodegradation estimation:
other: QSAR calculation
Details on study design:
Not applicable
Preliminary study:
Not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 2
Value:
0.98
Remarks on result:
other: Result from QSAR prediction
Parameter:
calculated rating of total degradation time (QSAR/QSPR)
Remarks:
BIOWIN 3
Value:
3.37
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 5
Value:
0.514
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 6
Value:
0.81
Remarks on result:
other: Result from QSAR prediction
Details on results:
BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Results with reference substance:
Not applicable
Validity criteria fulfilled:
not applicable
Conclusions:
BIOWIN models 2, 3, 5, and 6 predict that this constituent is biodegradable.
Executive summary:

The predictions of ready biodegradability of representative constituents of this category have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). BIOWIN models 2, 3, 5, and 6 predict that But-1 -ene is biodegradable.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Episuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:

BIOWIN 2 =  nonlinear probability model
BIOWIN 3  =  expert survey ultimate biodegradation model
BIOWIN 5  =  MITI linear model
BIOWIN 6  =  MITI nonlinear model

Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).

The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches.
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
Not applicable
Based on:
other: QSAR calculation
Parameter followed for biodegradation estimation:
other: QSAR calculation
Details on study design:
Not applicable
Preliminary study:
Not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 2
Value:
0.98
Remarks on result:
other: Result from QSAR prediction
Parameter:
calculated rating of total degradation time (QSAR/QSPR)
Remarks:
BIOWIN 3
Value:
3.37
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 5
Value:
0.534
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 6
Value:
0.73
Remarks on result:
other: Result from QSAR prediction
Details on results:
BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Results with reference substance:
Not applicable
Validity criteria fulfilled:
not applicable
Conclusions:
BIOWIN models 2 ,3, 5 and 6 predict that this constituent is biodegradable.
Executive summary:

The predictions of ready biodegradability of representative constituents of this category have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). BIOWIN models 2 ,3, 5 and 6 predict that But-2 -ene, cis- is biodegradable.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Episuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:

BIOWIN 2 =  nonlinear probability model
BIOWIN 3  =  expert survey ultimate biodegradation model
BIOWIN 5  =  MITI linear model
BIOWIN 6  =  MITI nonlinear model

Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).

The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches.
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
Not applicable
Based on:
other: QSAR calculation
Parameter followed for biodegradation estimation:
other: QSAR calculation
Details on study design:
Not applicable
Preliminary study:
Not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 2
Value:
0.98
Remarks on result:
other: Result from QSAR prediction
Parameter:
calculated rating of total degradation time (QSAR/QSPR)
Remarks:
BIOWIN 3
Value:
3.37
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 5
Value:
0.534
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 6
Value:
0.73
Remarks on result:
other: Result from QSAR prediction
Details on results:
BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Results with reference substance:
Not applicable
Validity criteria fulfilled:
not applicable
Conclusions:
BIOWIN models 2, 3, 5, and 6 predict that this constituent is biodegradable.
Executive summary:

The predictions of ready biodegradability of representative constituents of this category have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). BIOWIN models 2, 3, 5, and 6 predict that But-2 -ene, trans- is biodegradable.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Episuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:

BIOWIN 2 =  nonlinear probability model
BIOWIN 3  =  expert survey ultimate biodegradation model
BIOWIN 5  =  MITI linear model
BIOWIN 6  =  MITI nonlinear model

Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).

The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches.
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
Not applicable
Based on:
other: QSAR calculation
Parameter followed for biodegradation estimation:
other: QSAR calculation
Details on study design:
Not applicable
Preliminary study:
Not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 2
Value:
0.9
Remarks on result:
other: Result from QSAR prediction
Parameter:
calculated rating of total degradation time (QSAR/QSPR)
Remarks:
BIOWIN 3
Value:
3.08
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 5
Value:
0.434
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 6
Value:
0.76
Remarks on result:
other: Result from QSAR prediction
Details on results:
BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Results with reference substance:
Not applicable
Validity criteria fulfilled:
not applicable
Conclusions:
BIOWIN models 2, 3 and 6 predict that this constituent is biodegradable, BIOWIN model 5 predict that this constituent is not biodegradable
Executive summary:

The predictions of ready biodegradability of representative constituents of this category have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). BIOWIN models 2, 3 and 6 predict that Buta-1,3 -diene is biodegradable, BIOWIN model 5 predict that Buta-1,3 -diene is not biodegradable.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Episuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:

BIOWIN 2 =  nonlinear probability model
BIOWIN 3  =  expert survey ultimate biodegradation model
BIOWIN 5  =  MITI linear model
BIOWIN 6  =  MITI nonlinear model

Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).

The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches.
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
Not applicable
Based on:
other: QSAR calculation
Parameter followed for biodegradation estimation:
other: QSAR calculation
Details on study design:
Not applicable
Preliminary study:
Not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 2
Value:
0.98
Remarks on result:
other: Result from QSAR prediction
Parameter:
calculated rating of total degradation time (QSAR/QSPR)
Remarks:
BIOWIN 3
Value:
3.37
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 5
Value:
0.594
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 6
Value:
0.85
Remarks on result:
other: Result from QSAR prediction
Details on results:
BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Results with reference substance:
Not applicable
Validity criteria fulfilled:
not applicable
Conclusions:
BIOWIN models 2, 3, 5, and 6 predict that this constituent is biodegradable.
Executive summary:

The predictions of ready biodegradability of representative constituents of this category have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). BIOWIN models 2, 3, 5, and 6 predict that Butane is biodegradable.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Episuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:

BIOWIN 2 =  nonlinear probability model
BIOWIN 3  =  expert survey ultimate biodegradation model
BIOWIN 5  =  MITI linear model
BIOWIN 6  =  MITI nonlinear model

Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).

The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches.
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
Not applicable
Based on:
other: QSAR calculation
Parameter followed for biodegradation estimation:
other: QSAR calculation
Details on study design:
Not applicable
Preliminary study:
Not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 2
Value:
0.93
Remarks on result:
other: Result from QSAR prediction
Parameter:
calculated rating of total degradation time (QSAR/QSPR)
Remarks:
BIOWIN 3
Value:
3.14
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 5
Value:
0.549
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 6
Value:
0.8
Remarks on result:
other: Result from QSAR prediction
Details on results:
BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Results with reference substance:
Not applicable
Validity criteria fulfilled:
not applicable
Conclusions:
BIOWIN models 2, 3, 5, and 6 predict that this constituent is biodegradable.
Executive summary:

The predictions of ready biodegradability of representative constituents of this category have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). BIOWIN models 2, 3, 5, and 6 predict that Carbon Monoxide is biodegradable.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Episuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:

BIOWIN 2 =  nonlinear probability model
BIOWIN 3  =  expert survey ultimate biodegradation model
BIOWIN 5  =  MITI linear model
BIOWIN 6  =  MITI nonlinear model

Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).

The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches.
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
Not applicable
Based on:
other: QSAR calculation
Parameter followed for biodegradation estimation:
other: QSAR calculation
Details on study design:
Not applicable
Preliminary study:
Not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 2
Value:
0.93
Remarks on result:
other: Result from QSAR prediction
Parameter:
calculated rating of total degradation time (QSAR/QSPR)
Remarks:
BIOWIN 3
Value:
3.13
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 5
Value:
0.587
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 6
Value:
0.83
Remarks on result:
other: Result from QSAR prediction
Details on results:
BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Results with reference substance:
Not applicable
Validity criteria fulfilled:
not applicable
Conclusions:
BIOWIN models 2, 3, 5, and 6 predict that this constituent is biodegradable.
Executive summary:

The predictions of ready biodegradability of representative constituents of this category have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). BIOWIN models 2, 3, 5, and 6 predict that Ethane is biodegradable.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Episuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:

BIOWIN 2 =  nonlinear probability model
BIOWIN 3  =  expert survey ultimate biodegradation model
BIOWIN 5  =  MITI linear model
BIOWIN 6  =  MITI nonlinear model

Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).

The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches.
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
Not applicable
Based on:
other: QSAR calculation
Parameter followed for biodegradation estimation:
other: QSAR calculation
Details on study design:
Not applicable
Preliminary study:
Not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 2
Value:
0.93
Remarks on result:
other: Result from QSAR prediction
Parameter:
calculated rating of total degradation time (QSAR/QSPR)
Remarks:
BIOWIN 3
Value:
3.14
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 5
Value:
0.487
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 6
Value:
0.69
Remarks on result:
other: Result from QSAR prediction
Details on results:
BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Results with reference substance:
Not applicable
Validity criteria fulfilled:
not applicable
Conclusions:
BIOWIN models 2, 3, and 6 predict that this constituent is biodegradable and BIOWIN model 5 predict that this constituent is not biodegradable.
Executive summary:

The predictions of ready biodegradability of representative constituents of this category have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). BIOWIN models 2, 3, and 6 predict that Ethene [aka Ethylene] is biodegradable, and BIOWIN model 5 predict that Ethene is not biodegradable.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Episuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:

BIOWIN 2 =  nonlinear probability model
BIOWIN 3  =  expert survey ultimate biodegradation model
BIOWIN 5  =  MITI linear model
BIOWIN 6  =  MITI nonlinear model

Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).

The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches.
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
Not applicable
Based on:
other: QSAR calculation
Parameter followed for biodegradation estimation:
other: QSAR calculation
Details on study design:
Not applicable
Preliminary study:
Not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 2
Value:
0.94
Remarks on result:
other: Result from QSAR prediction
Parameter:
calculated rating of total degradation time (QSAR/QSPR)
Remarks:
BIOWIN 3
Value:
3.16
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 5
Value:
0.569
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 6
Value:
0.89
Remarks on result:
other: Result from QSAR prediction
Details on results:
BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Results with reference substance:
Not applicable
Validity criteria fulfilled:
not applicable
Conclusions:
BIOWIN models 2, 3, 5, and 6 predict that this constituent is biodegradable.
Executive summary:

The predictions of ready biodegradability of representative constituents of this category have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). BIOWIN models 2, 3, 5, and 6 predict that Methane is biodegradable.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Episuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:

BIOWIN 2 =  nonlinear probability model
BIOWIN 3  =  expert survey ultimate biodegradation model
BIOWIN 5  =  MITI linear model
BIOWIN 6  =  MITI nonlinear model

Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).

The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches.
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
Not applicable
Based on:
other: QSAR calculation
Parameter followed for biodegradation estimation:
other: QSAR calculation
Details on study design:
Not applicable
Preliminary study:
Not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 2
Value:
0.98
Remarks on result:
other: Result from QSAR prediction
Parameter:
calculated rating of total degradation time (QSAR/QSPR)
Remarks:
BIOWIN 3
Value:
3.34
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 5
Value:
0.525
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 6
Value:
0.85
Remarks on result:
other: Result from QSAR prediction
Details on results:
BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Results with reference substance:
Not applicable
Validity criteria fulfilled:
not applicable
Conclusions:
BIOWIN models 2, 3, 5, and 6 predict that this constituent is biodegradable.
Executive summary:

The predictions of ready biodegradability of representative constituents of this category have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). BIOWIN models 2, 3, 5, and 6 predict that Pentane is biodegradable.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Episuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:

BIOWIN 2 =  nonlinear probability model
BIOWIN 3  =  expert survey ultimate biodegradation model
BIOWIN 5  =  MITI linear model
BIOWIN 6  =  MITI nonlinear model

Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).

The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches.
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
Not applicable
Based on:
other: QSAR calculation
Parameter followed for biodegradation estimation:
other: QSAR calculation
Details on study design:
Not applicable
Preliminary study:
Not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 2
Value:
0.92
Remarks on result:
other: Result from QSAR prediction
Parameter:
calculated rating of total degradation time (QSAR/QSPR)
Remarks:
BIOWIN 3
Value:
3.11
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 5
Value:
0.511
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 6
Value:
0.8
Remarks on result:
other: Result from QSAR prediction
Details on results:
BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Results with reference substance:
Not applicable
Validity criteria fulfilled:
not applicable
Conclusions:
BIOWIN models 2, 3, 5, and 6 predict that this constituent is biodegradable.
Executive summary:

The predictions of ready biodegradability of representative constituents of this category have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). BIOWIN models 2, 3, 5, and 6 predict that Prop-1 -ene is biodegradable.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Episuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:

BIOWIN 2 =  nonlinear probability model
BIOWIN 3  =  expert survey ultimate biodegradation model
BIOWIN 5  =  MITI linear model
BIOWIN 6  =  MITI nonlinear model

Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).

The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches.
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
Not applicable
Based on:
other: QSAR calculation
Parameter followed for biodegradation estimation:
other: QSAR calculation
Details on study design:
Not applicable
Preliminary study:
Not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 2
Value:
0.9
Remarks on result:
other: Result from QSAR prediction
Parameter:
calculated rating of total degradation time (QSAR/QSPR)
Remarks:
BIOWIN 3
Value:
3.08
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 5
Value:
0.534
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 6
Value:
0.73
Remarks on result:
other: Result from QSAR prediction
Details on results:
BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Results with reference substance:
Not applicable
Validity criteria fulfilled:
not applicable
Conclusions:
BIOWIN models 2 3, 5, and 6 predict that this constituent is biodegradable.
Executive summary:

The predictions of ready biodegradability of representative constituents of this category have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). BIOWIN models 2, 3, 5, and 6 predict that Prop-1 -ene, 2 -methyl- is biodegradable.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Episuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:

BIOWIN 2 =  nonlinear probability model
BIOWIN 3  =  expert survey ultimate biodegradation model
BIOWIN 5  =  MITI linear model
BIOWIN 6  =  MITI nonlinear model

Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).

The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches.
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
Not applicable
Based on:
other: QSAR calculation
Parameter followed for biodegradation estimation:
other: QSAR calculation
Details on study design:
Not applicable
Preliminary study:
Not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 2
Value:
0.92
Remarks on result:
other: Result from QSAR prediction
Parameter:
calculated rating of total degradation time (QSAR/QSPR)
Remarks:
BIOWIN 3
Value:
3.1
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 5
Value:
0.59
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 6
Value:
0.85
Remarks on result:
other: Result from QSAR prediction
Details on results:
BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Results with reference substance:
Not applicable
Validity criteria fulfilled:
not applicable
Conclusions:
BIOWIN models 2, 3, 5, and 6 predict that this constituent is biodegradable.
Executive summary:

The predictions of ready biodegradability of representative constituents of this category have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). BIOWIN models 2, 3, 5, and 6 predict that Propane is biodegradable.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
Episuite and the BIOWIN models are well documented and commonly used QSARs for predicting the biodegradation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Principles of method if other than guideline:
BIOWIN v4.1 in EPISuite 4.1 (2017). The Biodegradation Probability Program (Biowin) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms. As recommended in the ECHA guidance R.7b, BIOWIN 2, 3, 5 and 6 were used to predict the ready biodegradability of constituents of the category:

BIOWIN 2 =  nonlinear probability model
BIOWIN 3  =  expert survey ultimate biodegradation model
BIOWIN 5  =  MITI linear model
BIOWIN 6  =  MITI nonlinear model

Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the model. BIOWIN 2 is intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium (Howard et al., 1992). BIOWIN 3 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment (Boethling et al., 1994). BIOWIN 5 and 6 are predictive models for assessing a compound’s biodegradability in the Japanese MITI (Ministry of International Trade and Industry) ready biodegradation test; i.e. OECD 301C (Tunkel et al., 2000).

The use of QSAR estimates to predict the biodegradability of hydrocarbons are included in the training sets of the BIOWIN. The databases were created using experimental biodegradation data for compounds found in crude oil and its products, with biodegradation references obtained for each of these compounds, mainly from the BIOLOG and DATALOG files of EFDB, TOXLINE and American Chemical Society Chemical Abstracts as well as literature searches.
GLP compliance:
no
Oxygen conditions:
aerobic
Inoculum or test system:
not specified
Details on inoculum:
Not applicable
Based on:
other: QSAR calculation
Parameter followed for biodegradation estimation:
other: QSAR calculation
Details on study design:
Not applicable
Preliminary study:
Not applicable
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 2
Value:
0.9
Remarks on result:
other: Result from QSAR prediction
Parameter:
calculated rating of total degradation time (QSAR/QSPR)
Remarks:
BIOWIN 3
Value:
3.07
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 5
Value:
0.518
Remarks on result:
other: Result from QSAR prediction
Parameter:
probability of ready biodegradability (QSAR/QSPR)
Remarks:
BIOWIN 6
Value:
0.69
Remarks on result:
other: Result from QSAR prediction
Details on results:
BIOWIN 2, 5, and 6 Result Classification: A probability greater than or equal to 0.5 indicates “Biodegrades Fast” and a probability less than 0.5 indicates “Does NOT Biodegrade Fast”
BIOWIN 3 Result Classification (primary and ultimate): 5.00 - hours, 4.00 - days, 3.00 - weeks, 2.00 - months, 1.00 - longer. A probability greater than or equal to 2.75 indicates "Biodegrades Fast".
Results with reference substance:
Not applicable
Validity criteria fulfilled:
not applicable
Conclusions:
BIOWIN models 2, 3, 5, and 6 predict that this constituent is biodegradable.
Executive summary:

The predictions of ready biodegradability of representative constituents of this category have been predicted using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). BIOWIN models 2, 3, 5, and 6 predict that Propane, 2 -methyl- is biodegradable.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Information from a review article, reliability not known but contributing to a weight of evidence.
Qualifier:
according to guideline
Guideline:
OECD Guideline 301 D (Ready Biodegradability: Closed Bottle Test)
GLP compliance:
not specified
Oxygen conditions:
aerobic
Inoculum or test system:
activated sludge, domestic (adaptation not specified)
Details on inoculum:
added at 1 drop per litre
Duration of test (contact time):
28 d
Initial conc.:
1.84 mg/L
Based on:
test mat.
Parameter:
other: BOD
Value:
1
Sampling time:
28 d
Parameter:
other: GC analysis
Value:
0
Sampling time:
28 d
Validity criteria fulfilled:
not specified
Remarks:
insufficient data to confirm validity
Interpretation of results:
under test conditions no biodegradation observed
Conclusions:
Propene was not found to be readily biodegradable under the conditions of the test.
Executive summary:

Propene was not found to be readily biodegradable under the conditions of the test. This information was taken from a review article. The original study report has not been reviewed, so much of the study details are missing and we cannot confirm that the validity criteria are met, or assess the reliability of the study.

Endpoint:
biodegradation in water: ready biodegradability
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Non-GLP, non-guideline, information from a review article, acceptable with restrictions
Principles of method if other than guideline:
This handbook reviews the available reference sources to describe the aerobic degradation pathways of propene in the environment. The data sources cited refer to the isolation of propene degrading microorganisms from soils and the identification of degradation products and pathways.
GLP compliance:
not specified
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material:
not applicable
Oxygen conditions:
aerobic
Inoculum or test system:
other: see comments below
Details on inoculum:
Isolated strains of Aerobacter sp, Pseudosomonas sp, Methylococcus capsulatus sp, Mycobacterium sp, Nocardia sp, Xanthobacter sp and unidentified sp. were identified by the various authors reviewed in this handbook.
Details on study design:
data not reported
Reference substance:
other: Not reported
Preliminary study:
data not reported
Test performance:
data not reported
Remarks on result:
not measured/tested
Remarks:
Degradation rates are not reported in this handbook. Two proposed microbial pathways are described for propene metabolism under aerobic conditions. The two pathways lead to the production of 1,2-propanediol or acetyl CoA prior to mineralization to CO2.
Details on results:
Degradation rates are not reported in this handbook. Two proposed microbial pathways are described for propene metabolism under aerobic conditions. The two pathways lead to the production of 1,2-propanediol or acetyl CoA prior to mineralization to CO2.
Results with reference substance:
None reported

Degradation rates are not reported in this handbook. Two proposed microbial pathways are described for propene metabolism under aerobic conditions. The two pathways lead to the production of 1,2-propanediol or acetyl CoA prior to mineralization to CO2.

Validity criteria fulfilled:
not applicable
Interpretation of results:
other: Propene can be biodegraded in aerobic conditions
Conclusions:
This review of the data relating to the biodegradation of propene clearly demonstrates that microorganisms isolated from environmental samples have the ability to biodegrade propene in aerobic condititions. The biodegradation of propene under anaerobic conditions is not described in the review. Degradation rates are not reported.
Executive summary:

Although the references cited in this review article do not follow standard guidelines for ready biodegradability tests they do demonstrate that microorganisms that can biodegrade propene have been isolated from soil samples. This review adds to the weight of evidence that propene can be expected to biodegrade if released to the environment. This review article and the references cited within it were used together with QSAR predictions as a weight of evidence approach to fulfil the biodegradation endpoint in the draft SIDS for propene (2003).

Description of key information

Experimental data is available for some constituents of the category, which indicate in a weight-of-evidence approach that the constituents are expected to biodegrade if released to the environment.

As the member streams within this Category are gases at standard temperature and pressure, conducting a standard ready biodegradability test is considered technically not feasible and, based on exposure estimates, the test may not be relevant. Therefore, the use of BIOWIN QSAR models to predict the biodegradability of this Category is an appropriate technique for this endpoint. Of the 15 constituents, and according to the criteria set out in the ECHA R.7b Information Requirements Guidance, 15 (BIOWIN 2), 14 (BIOWIN 3), 13 (BIOWIN 5) and 15 (BIOWIN 6) were predicted to be readily biodegradable based on the different models, with 15 constituents having at least one prediction of a high probability that it will biodegrade fast. The QSAR predictions add to the weight of evidence that all the constituents of the category can be expected to biodegrade if released to the environment.

Therefore, the category is considered readily biodegradable. It is not feasible to perform ready biodegradation studies on gas substances.

Key value for chemical safety assessment

Biodegradation in water:
readily biodegradable

Additional information

Experimental data

Experimental data is available for some constituents of the category:

- Benzene was found to be readily biodegradable under the conditions of an OECD 301F test (Shell, 2000).

- Ethane meets criteria for "readily biodegradable" but source predates OECD guidelines. Non-GLP non-guideline experimental study , published in peer reviewed literature, predates implementation of GLP and/or development of study guidelines but otherwise acceptable for assessment (Boop 1981).

- Propene would not be considered readily biodegradable (MITI 2001). However, various researchers have demonstrated that microorganisms which can biodegrade propene have been isolated from soil samples (e.g. van Agteren et al 1998).

- 1 -butene and 1,3 -butadiene: A study identified 27 strains of bacteria that were capable of biodegrading 1 -butene and 1,3 -butadiene in aerobic condititions (Hou, 1983). However, 1,3-butadiene was not found to be readily biodegradable under the conditions of the test. This information was taken from a review article. The original study report has not been reviewed, so much of the study details are missing and we cannot confirm that the validity criteria are met, or assess the reliability of the study.

QSAR data

The predictions of ready biodegradability of representative constituents of this category have been estimated using the EPISUITE v4.11 BIOWIN models (2017), which use methodology described by Howard et al. (1992), Boethling et al. (1994) and Tunkel et al. (2000). Of the 15 constituents, and according to the criteria set out in the ECHA R.7b Information Requirements Guidance, 15 (BIOWIN 2), 14 (BIOWIN 3), 13 (BIOWIN 5) and 15 (BIOWIN 6) were predicted to be readily biodegradable based on the different models, with 15 constituents having at least one prediction of a high probability that it will biodegrade fast.

Constituent Name CAS No. BIOWIN 2 BIOWIN 3 BIOWIN 5 BIOWIN 6
Benzene 000071-43-2 1.00 2.44 0.43 0.73
But-1-ene 000106-98-9 0.98 3.37 0.51 0.81
But-2-ene, cis- 000590-18-1 0.98 3.37 0.53 0.73
But-2-ene, trans- 000624-64-6 0.98 3.37 0.53 0.73
Buta-1,3-diene 000106-99-0 0.90 3.08 0.43 0.76
Butane 000106-97-8 0.98 3.37 0.59 0.85
Carbon Monoxide 000630-08-0 0.93 3.14 0.55 0.80
Ethane 000074-84-0 0.93 3.13 0.59 0.83
Ethene  [aka Ethylene] 000074-85-1 0.93 3.14 0.49 0.69
Methane 000074-82-8 0.94 3.16 0.57 0.89
Pentane 000109-66-0 0.98 3.34 0.53 0.85
Prop-1-ene 000115-07-1 0.92 3.11 0.51 0.80
Prop-1-ene, 2-methyl- 000115-11-7 0.90 3.08 0.53 0.73
Propane 000074-98-6 0.92 3.10 0.59 0.85
Propane, 2-methyl- 000075-28-5 0.90 3.07 0.52 0.69