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Biodegradation in water: screening tests

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

biodegradation in water: screening test, other

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

secondary literature

Justification for type of information:

Data is from a secondary source.

Qualifier:

according to guideline

Guideline:

other: DOC-DIE AWAY TEST (EWG Guideline 79/831/EWG, Appendix V, Part C (updated edition dated July 1990), Method C.4-A.

Principles of method if other than guideline:

Biodegradation in water study was carried out for time period of 28 days.

GLP compliance:

not specified

Oxygen conditions:

aerobic

Inoculum or test system:

activated sludge (adaptation not specified)

Duration of test (contact time):

28 d

Based on:

not specified

Parameter followed for biodegradation estimation:

DOC removal

Reference substance:

benzoic acid, sodium salt

Parameter:

% degradation (DOC removal)

Value:

37

Sampling time:

28 d

Remarks on result:

other: Other details not known

Details on results:

Degradation % after time: Duplicates run with test article.
Flask 1: Percent degradation after 0, 7, 14, 21, 27 and 28 days was 0, 31, 34, 31, 43 and 37%, respectively.
Flask 2: Percent degradation after 0, 7, 14, 21, 27 and 28 days was 0, 31, 34, 35, 40, and 37%, respectively.

Results with reference substance:

> 96% degradation

Validity criteria fulfilled:

not specified

Interpretation of results:

not readily biodegradable

Conclusions:

Biodegradation in water study was carried out for time period of 28 days. Percentage degradation of test chemical 0, 31, 34, 33, 41, and 37% for 0, 7, 14, 21, 27, and 28 days, respectively.

Executive summary:

Biodegradation in water study was carried out for time period of 28 days under the aerobic condition, by following the method DOC-DIE AWAY TEST (EWG Guideline 79/831/EWG, Appendix V, Part C (updated edition dated July 1990), Method C.4-A. Activated sludge was used as test inoculum. Sodium benzoate, was used as reference substance of > 96% degradation.The DOC analysis was performed using two-point calibration in a carbon analyzer (Shimadzu). Percentage degradation of test chemical were determined to be 0, 31, 34, 33, 41, and 37% for 0, 7, 14, 21, 27, and 28 days, respectively. Thus, based on percentage degradation, test chemical was considered as not readily biodegradable in water.

Reference 2

Endpoint:

biodegradation in water: screening test, other

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

secondary literature

Justification for type of information:

Data is from a secondary source.

Qualifier:

according to guideline

Guideline:

other: DOC-DIE AWAY TEST (EWG Guideline 79/831/EWG, Appendix V, Part C (updated edition dated July 1990), Method C.4-A.

Principles of method if other than guideline:

Biodegradation in water study was carried out for time period of 28 days.

GLP compliance:

not specified

Oxygen conditions:

aerobic

Inoculum or test system:

activated sludge (adaptation not specified)

Duration of test (contact time):

28 d

Based on:

not specified

Parameter followed for biodegradation estimation:

DOC removal

Reference substance:

benzoic acid, sodium salt

Parameter:

% degradation (DOC removal)

Value:

39

Sampling time:

28 d

Remarks on result:

other: Other details not known

Results with reference substance:

> 98 % degradation.

Validity criteria fulfilled:

not specified

Interpretation of results:

not readily biodegradable

Conclusions:

Biodegradation in water study was carried out for time period of 28 days and percentage degradation 0, 3 hours, and days 7, 14, 21, 27, 28 days were determined to be 0, 0, 47, 48, 49, 50, and 39% respectively.

Executive summary:

Biodegradation in water study was carried out for time period of 28 days by following the DOC-DIE AWAY TEST (EWG Guideline 79/831/EWG, Appendix V, Part C (updated edition dated July 1990), Method C.4-A. Test was carried out under aerobic condition. Benzoic acid, sodium salt was used as reference substance having > 98 % degradtion. Percentage degradation 0, 3 hours, and days 7, 14, 21, 27, 28 days were determined to be 0, 0, 47, 48, 49, 50, and 39% respectively. Based on percentage degradation test chemical was considered as not readily biodegradable in water.

Reference 3

Endpoint:

biodegradation in water: ready biodegradability

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Data is from computational model developed by USEPA

Qualifier:

according to guideline

Guideline:

other: Modeling database

Principles of method if other than guideline:

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 .The model is part of the EpiSuite program of the US-EPA. Estimations are made with BIOWIN version 4.10. Estimates are based upon fragment constants that were developed using multiple linear and non-linear regression analyses. Experimental biodegradation data for the multiple linear and non-linear regressions were obtained from Syracuse Research Corporation's (SRC) data base of evaluated biodegradation data (Howard et. al., 1987). This version (v4.10) designates the models as follows (see also Boethling et al. 2003):
Biowin1 = linear probability model
Biowin2 = nonlinear probability model
Biowin3 = expert survey ultimate biodegradation model
Biowin4 = expert survey primary biodegradation model
Biowin5 = MITI linear model
Biowin6 = MITI nonlinear model
Biowin7 = anaerobic biodegradation model

GLP compliance:

no

Oxygen conditions:

other: aerobic (Biowin 1-6) and anaerobic (Biowin 7)

Inoculum or test system:

other: mixed populations of environmental microorganisms

Duration of test (contact time):

2.686 mo

Details on study design:

Using the computer tool BIOWIN v4.10 by US-EPA (EPIWIN) the aerobic as well as the anaerobic biodegradability of the test material can be estimated. The follwoing seven different models are used by the tool: Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI LInear Model, MITI Non-Linear Model and Anaerobic Model (calles Biowin 1-7, respectively). Due to this results the overall prediction of readily biodegradability is done for the desired chemical.

Biowin 1 and 2, are intended to convey a general indication of biodegradability under aerobic conditions, and not for any particular medium.
Biowin 1 (Linear model)
The fast biodegradation probability for any compound is calculated by summing, for all the fragments present in that compound, the fragment coefficient multiplied by the number of instances of the fragment in the compound (for MW, the value of that parameter is multiplied by its coefficient), and then adding this summation to the equation constant which is 0.7475. The summed values for each fragment coefficient multiplied by the number of instances appear in the "VALUE" column of the linear results screen.

Biowin 2 (Non-linear model)
Calculation of the fast biodegradation probability for any compound begins by summing, for all the fragments present in that compound, the fragment coefficient multiplied by the number of instances of the fragment in the compound (for MW, the value of that parameter is multiplied by its coefficient), then adding this summation to the equation constant which is 3.0087. The summed values for each fragment coefficient multiplied by the number of instances appear in the "VALUE" column of the non-linear results screen. The non-linear fast biodegradation probability is then calculated from the logistic equation as follows, where total = 3.0087 + the summation as described above:

Biowin 3 and 4 yield estimates for the time required to achieve complete ultimate and primary biodegradation in a typical or "evaluative" aquatic environment.

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. These models use an approach similar to that used to develop Biowin1 and 2. This protocol for determining ready biodegradability is among six officially approved as ready biodegradability test guidelines of the OECD (Organization for Economic Cooperation and Development). A total dataset of 884 chemicals was compiled to derive the fragment probability values that are applied in this MITI Biodegradability method. The dataset consists of 385 chemical that were critically evaluated as "readily degradable" and 499 chemicals that were critically evaluated as "not readily biodegradable".

Biowin 7, the anaerobic biodegradation model, is the most recent. As for the other Biowin models, multiple (linear) regression against molecular fragments was used to develop the model, which predicts probability of rapid degradation in the "serum bottle" anaerobic biodegradation screening test. This endpoint is assumed to be predictive of degradation in a typical anaerobic digester. Biowin7 estimates the probability of fast biodegradation under methanogenic anaerobic conditions; specifically, under the conditions of the "serum bottle" anaerobic biodegradation screening test (Meylan et al. 2007). A total of 169 compounds with serum bottle test data were identified for use in model development.

Out of seven different Biowin models, Biowin model 3 and 4 will help in estimating biodgeradability of the test chemical which was described as below-

Ultimate Biodegradation Timeframe and Primary Biodegradation Timeframe (Biowin 3 and 4)
These two models estimate the time required for "complete" ultimate and primary biodegradation.  Primary biodegradation is the transformation of a parent compound to an initial metabolite.  Ultimate biodegradation is the transformation of a parent compound to carbon dioxide and water, mineral oxides of any other elements present in the test compound, and new cell material. Then the rating was given to each model, which indicates the time required to achieve ultimate and primary biodegradation in a typical or "evaluative" aquatic environment. The ratings for each compound were averaged to obtain a single value for modeling.  The ultimate or primary rating of a compound is calculated by summing, for all the fragments present in that compound.

Key result

Sampling time:

2.6 mo

Remarks on result:

other: not readily biodegradable as estimated by BIOWIN model

Details on results:

Biowin1 (Linear Model Prediction) : Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): Biodegrades Fast
Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months
Biowin4 (Primary Biodegradation Timeframe): Days-Weeks
Biowin5 (MITI Linear Model Prediction) : Does Not Biodegrade Fast
Biowin6 (MITI Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin7 (Anaerobic Model Prediction): Biodegrades Fast
Ready Biodegradability Prediction: NO

BIOWIN (v4.10) Program Results:

==============================

------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 3 | Aliphatic amine [-NH2 or -NH-] | 0.1538 | 0.4615
MolWt| * | Molecular Weight Parameter | | -0.1264
Const| * | Equation Constant | | 0.7475
============+============================================+=========+=========
RESULT | Biowin1 (Linear Biodeg Probability) | | 1.0827
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 3 | Aliphatic amine [-NH2 or -NH-] | 1.1099 | 3.3297
MolWt| * | Molecular Weight Parameter | | -3.7691
============+============================================+=========+=========
RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.9289
============+============================================+=========+=========
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin3 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 3 | Aliphatic amine [-NH2 or -NH-] | 0.0244 | 0.0733
MolWt| * | Molecular Weight Parameter | | -0.5866
Const| * | Equation Constant | | 3.1992
============+============================================+=========+=========
RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 2.6859
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 3 | Aliphatic amine [-NH2 or -NH-] | 0.0433 | 0.1298
MolWt| * | Molecular Weight Parameter | | -0.3830
Const| * | Equation Constant | | 3.8477
============+============================================+=========+=========
RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.5946
============+============================================+=========+=========
Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks
(Primary & Ultimate) 2.00 -> months 1.00 -> longer
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin5 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 3 | Aliphatic amine [-NH2 or -NH-] | 0.0333 | 0.0999
Frag | 4 | Methyl [-CH3] | 0.0004 | 0.0016
Frag | 3 | -CH2- [linear] | 0.0494 | 0.1482
Frag | 3 | -CH- [linear] | -0.0507 | -0.1520
MolWt| * | Molecular Weight Parameter | | -0.7897

Const| * | Equation Constant | | 0.7121
============+============================================+=========+=========
RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 0.0202
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 3 | Aliphatic amine [-NH2 or -NH-] | -0.2845 | -0.8536
Frag | 4 | Methyl [-CH3] | 0.0194 | 0.0777
Frag | 3 | -CH2- [linear] | 0.4295 | 1.2885
Frag | 3 | -CH- [linear] | -0.0998 | -0.2993
MolWt| * | Molecular Weight Parameter | | -7.6627
============+============================================+=========+=========
RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.0072
============+============================================+=========+=========
A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable
A Probability Less Than 0.5 indicates --> NOT Readily Degradable

------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin7 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 3 | Aliphatic amine [-NH2 or -NH-] | 0.1773 | 0.5319
Frag | 4 | Methyl [-CH3] | -0.0796 | -0.3183
Frag | 3 | -CH2- [linear] | 0.0260 | 0.0780
Frag | 3 | -CH- [linear] | -0.1659 | -0.4976
Const| * | Equation Constant | | 0.8361
============+============================================+=========+=========
RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | 0.6301
============+============================================+=========+=========
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

Validity criteria fulfilled:

not specified

Interpretation of results:

not readily biodegradable

Conclusions:

The biodegradability of the substance was calculated using seven different Biowin 1-7 models of the BIOWIN v4.10 software. The results indicate that the test chemical is expected to be not readily biodegradable.

Executive summary:

Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the test compound  in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical was expected to be not readily biodegradable.

Description of key information

The biodegradability of the substance was calculated using seven different Biowin 1-7 models of the BIOWIN v4.10 software. The results indicate that the test chemical is expected to be not readily biodegradable.

Key value for chemical safety assessment

Biodegradation in water:

not biodegradable

Type of water:

freshwater

Additional information

Predicted data of target chemical and supporting weight of evidence studies for it's  structurally similar read across chemicals has been reviewed to determine the effect of the test chemical on biodegradation. The studies are as mentioned below:

 

First study includes estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the test compound  in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical was expected to be not readily biodegradable.

 

Second study includes biodegradation in water study was carried out for time period of 28 days by following the DOC-DIE AWAY TEST (EWG Guideline 79/831/EWG, Appendix V, Part C (updated edition dated July 1990), Method C.4-A. Test was carried out under aerobic condition. Benzoic acid, sodium salt was used as reference substance having > 98 % degradtion. Percentage degradation 0, 3 hours, and days 7, 14, 21, 27, 28 days were determined to be 0, 0, 47, 48, 49, 50, and 39%. Based on percentage degradation test chemical was considered as not readily biodegradable in water.

 

Third study includes biodegradation in water study was carried out for time period of 28 days under the aerobic condition, by following the method DOC-DIE AWAY TEST (EWG Guideline 79/831/EWG, Appendix V, Part C (updated edition dated July 1990), Method C.4-A. Activated sludge was used as test inoculum. Sodium benzoate, was used as reference substance of > 96% degradation.The DOC analysis was performed using two-point calibration in a carbon analyzer (Shimadzu). Percentage degradation of test chemical were determined to be 0, 31, 34, 33, 41, and 37% for 0, 7, 14, 21, 27, and 28 days, respectively. Thus, based on percentage degradation, test chemical was considered as not readily biodegradable in water.

 

 

The biodegradability of the substance was calculated using seven different Biowin 1-7 models of the BIOWIN v4.10 software. The results indicate that the test chemical is expected to be not readily biodegradable.

 

Based on above information test chemical was considered as not readily biodegradable in water.