2-methylanthraquinone

Biodegradation in water: screening tests

Link to relevant study record(s)

Reference

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 4.10Estimates 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 modelBiowin2 = nonlinear probability modelBiowin3 = expert survey ultimate biodegradation modelBiowin4 = expert survey primary biodegradation modelBiowin5 = MITI linear modelBiowin6 = MITI nonlinear modelBiowin7 = anaerobic biodegradation model

GLP compliance:

not specified

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):

2.588 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.

Key result

Parameter:

other: half life

Value:

50

Sampling time:

2.588 mo

Remarks on result:

other: not readily biodegradable as estimated by BIOWIN model.

Details on results:

Biowin1 (Linear Model Prediction) : 0.7101: Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): 0.3832: Does Not Biodegrade Fast
Biowin3 (Ultimate Biodegradation Timeframe): 2.5882: Weeks-Months
Biowin4 (Primary Biodegradation Timeframe): 3.4141: Days-Weeks
Biowin5 (MITI Linear Model Prediction) : 0.3854: Does Not Biodegrade Fast
Biowin6 (MITI Non-Linear Model Prediction): 0.2544: Does Not Biodegrade Fast
Biowin7 (Anaerobic Model Prediction): -0.9875: Does Not Biodegrade Fast
Ready Biodegradability Prediction: NO

BIOWIN (v4.10) Program Results:

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

SMILES : O=C(c(c(C(=O)c1cccc2)ccc3C)c3)c12

CHEM : 9,10-Anthracenedione, 2-methyl-

MOL FOR: C15 H10 O2

MOL WT : 222.25

--------------------------- BIOWIN v4.10 Results ----------------------------

Biowin1 (Linear Model Prediction) : Biodegrades Fast

Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade 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): Does Not Biodegrade Fast

Ready Biodegradability Prediction: NO

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 2 | Ketone [-C-C(=O)-C-] | 0.0068 | 0.0137

Frag | 1 | Alkyl substituent on aromatic ring | 0.0547 | 0.0547

MolWt| * | Molecular Weight Parameter | | -0.1058

Const| * | Equation Constant | | 0.7475

============+============================================+=========+=========

RESULT | Biowin1 (Linear Biodeg Probability) | | 0.7101

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 2 | Ketone [-C-C(=O)-C-] | -0.4530 | -0.9060

Frag | 1 | Alkyl substituent on aromatic ring | 0.5771 | 0.5771

MolWt| * | Molecular Weight Parameter | | -3.1559

============+============================================+=========+=========

RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.3832

============+============================================+=========+=========

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 | 2 | Ketone [-C-C(=O)-C-] | -0.0225 | -0.0450

Frag | 1 | Alkyl substituent on aromatic ring | -0.0749 | -0.0749

MolWt| * | Molecular Weight Parameter | | -0.4911

Const| * | Equation Constant | | 3.1992

============+============================================+=========+=========

RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 2.5882

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 2 | Ketone [-C-C(=O)-C-] | -0.0222 | -0.0444

Frag | 1 | Alkyl substituent on aromatic ring | -0.0685 | -0.0685

MolWt| * | Molecular Weight Parameter | | -0.3206

Const| * | Equation Constant | | 3.8477

============+============================================+=========+=========

RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.4141

============+============================================+=========+=========

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 | 2 | Ketone [-C-C(=O)-C-] | 0.1177 | 0.2355

Frag | 1 | Aromatic-CH3 | 0.0415 | 0.0415

Frag | 7 | Aromatic-H | 0.0082 | 0.0575

MolWt| * | Molecular Weight Parameter | | -0.6612

Const| * | Equation Constant | | 0.7121

============+============================================+=========+=========

RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 0.3854

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 2 | Ketone [-C-C(=O)-C-] | 0.8334 | 1.6669

Frag | 1 | Aromatic-CH3 | 0.3072 | 0.3072

Frag | 7 | Aromatic-H | 0.1201 | 0.8410

MolWt| * | Molecular Weight Parameter | | -6.4159

============+============================================+=========+=========

RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.2544

============+============================================+=========+=========

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 | 2 | Ketone [-C-C(=O)-C-] | -0.3919 | -0.7838

Frag | 1 | Alkyl substituent on aromatic ring | -0.1145 | -0.1145

Frag | 1 | Aromatic-CH3 | -0.2573 | -0.2573

Frag | 7 | Aromatic-H | -0.0954 | -0.6680

Const| * | Equation Constant | | 0.8361

============+============================================+=========+=========

RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | -0.9875

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

Ready Biodegradability Prediction: (YES or NO)

----------------------------------------------

Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey

model) result is "weeks" or faster (i.e. "days", "days to weeks", or

"weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then

the prediction is YES (readily biodegradable). If this condition is not

satisfied, the prediction is NO (not readily biodegradable). This method

is based on application of Bayesian analysis to ready biodegradation data

(see Help). Biowin5 and 6 also predict ready biodegradability, but for

degradation in the OECD301C test only; using data from the Chemicals

Evaluation and Research Institute Japan (CERIJ) database.

Validity criteria fulfilled:

not specified

Interpretation of results:

not readily biodegradable

Conclusions:

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

Executive summary:

Estimation Programs Interface Suite (2018) was run to predict the biodegradation potential of the test chemical 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 test chemical is expected to be not readily biodegradable.

Description of key information

Estimation Programs Interface Suite (2018) was run to predict the biodegradation potential of the test chemical 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 test chemical is expected to be not readily biodegradable.

Key value for chemical safety assessment

Biodegradation in water:

under test conditions no biodegradation observed

Additional information

Predicted data for the test chemical and various supporting weight of evidence studies for its structurally similar read across substance were reviewed for the biodegradation end point which are summarized as below:

 

In a prediction using the Estimation Programs Interface Suite (2018), the biodegradation potential of the test chemicalin the presence of mixed populations of environmental microorganisms was estimated. 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 test chemical is expected to be not readily biodegradable.

 

In a supporting weight of evidence study from authoritative database (HSDB, 2017), biodegradation experiment was conducted for 14 days for evaluating the percentage biodegradability of test chemical under aerobic conditions. Initial test substance conc. used for the study was 100 mg/l. The percentage degradation of test chemical was determined to be in the range of 0 -5% by using BOD parameter in 14 days. Thus, based on percentage degradation, test chemical is considered to be not readily biodegradable in nature.

 

Another biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of test chemical (authoritative database, 2017). Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of test chemical was determined to be 5% by GC parameter in 14 days. Thus, based on percentage degradation, test chemical is considered to be not readily biodegradable in nature.

 

For the test chemical, biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of test chemical (J-CHECK, 2017 and Envichem, 2014). Concentration of inoculum i.e, sludge used was 100 mg/l and initial test substance conc. used in the study was 30 mg/l, respectively. The percentage degradation of test chemical was determined to be 0% by BOD and GC parameter in 14 days. Thus, based on percentage degradation, test chemical is considered to be not readily biodegradable in nature.

 

On the basis of above results for test chemical, it can be concluded that the test chemical can be expected to be not readily biodegradable in nature.