Disodium 2-amino-5-[(4-sulphonatophenyl)azo]benzenesulphonate

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)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Estimated data generated using the EPI Suite model developed by the USEPA

Qualifier:

according to guideline

Guideline:

other: Modelling database

Principles of method if other than guideline:

BIOWIN estimates the probability of rapid aerobic and anaerobic biodegradation of an organic compound in the presence of mixed populations of environmental microorganisms. BIOWIN contains seven separate models. 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
Biodegradability estimates are based upon fragment constants that were developed using multiple linear or non-linear regression analyses, depending on the 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):

2.259 wk

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.

Parameter:

other: Half-life

Value:

50

Sampling time:

2.259 wk

Remarks on result:

other: Other details not known

Details on results:

Biowin1 (Linear Model Prediction) : -0.3457: Does Not Biodegrade Fast
Biowin2 (Non-Linear Model Prediction): 0.0000: Does Not Biodegrade Fast
Biowin3 (Ultimate Biodegradation Timeframe): 2.2586: Weeks-Months
Biowin4 (Primary Biodegradation Timeframe): 3.2142: Weeks
Biowin5 (MITI Linear Model Prediction) : -0.4528: Does Not Biodegrade Fast
Biowin6 (MITI Non-Linear Model Prediction): 0.0000: Does Not Biodegrade Fast
Biowin7 (Anaerobic Model Prediction): -0.8634: Does Not Biodegrade Fast
Ready Biodegradability Prediction: NO

BIOWIN (v4.10) Program Results:

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

SMILES : S(=O)(=O)(O)c1c(N)ccc(N=Nc2ccc(S(=O)(=O)O)cc2)c1

CHEM : Benzenesulfonic acid, 2-amino-5-[(4-sulfophenyl)azo]-, disodium salt

MOL FOR: C12 H11 N3 O6 S2

MOL WT : 357.36

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

Biowin1 (Linear Model Prediction) : Does Not Biodegrade Fast

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

Biowin3 (Ultimate Biodegradation Timeframe): Weeks-Months

Biowin4 (Primary Biodegradation Timeframe): 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 | 1 | Aromatic amine [-NH2 or -NH-] | -0.2338 | -0.2338

Frag | 2 | Sulfonic acid / salt -> aromatic attach | -0.2238 | -0.4475

Frag | 1 | Azo group [-N=N-] | -0.2418 | -0.2418

MolWt| * | Molecular Weight Parameter | | -0.1701

Const| * | Equation Constant | | 0.7475

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

RESULT | Biowin1 (Linear Biodeg Probability) | | -0.3457

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

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

TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE

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

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -1.9070 | -1.9070

Frag | 2 | Sulfonic acid / salt -> aromatic attach | -1.0283 | -2.0566

Frag | 1 | Azo group [-N=N-] | -8.2194 | -8.2194

MolWt| * | Molecular Weight Parameter | | -5.0745

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

RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.0000

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

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 | 1 | Aromatic amine [-NH2 or -NH-] | -0.1349 | -0.1349

Frag | 2 | Sulfonic acid / salt -> aromatic attach | 0.1422 | 0.2844

Frag | 1 | Azo group [-N=N-] | -0.3004 | -0.3004

MolWt| * | Molecular Weight Parameter | | -0.7897

Const| * | Equation Constant | | 3.1992

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

RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 2.2586

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

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

TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE

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

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -0.1084 | -0.1084

Frag | 2 | Sulfonic acid / salt -> aromatic attach | 0.0216 | 0.0432

Frag | 1 | Azo group [-N=N-] | -0.0528 | -0.0528

MolWt| * | Molecular Weight Parameter | | -0.5156

Const| * | Equation Constant | | 3.8477

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

RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.2142

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

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 | 1 | Aromatic amine [-NH2 or -NH-] | -0.1577 | -0.1577

Frag | 2 | Sulfonic acid / salt -> aromatic attach | 0.0221 | 0.0443

Frag | 1 | Azo group [-N=N-] | -0.0459 | -0.0459

Frag | 7 | Aromatic-H | 0.0082 | 0.0575

MolWt| * | Molecular Weight Parameter | | -1.0631

Const| * | Equation Constant | | 0.7121

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

RESULT | Biowin5 (MITI Linear Biodeg Probability) | | -0.4528

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

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

TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE

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

Frag | 1 | Aromatic amine [-NH2 or -NH-] | -1.2264 | -1.2264

Frag | 2 | Sulfonic acid / salt -> aromatic attach | 0.6780 | 1.3561

Frag | 1 | Azo group [-N=N-] |-10.6129 |-10.6129

Frag | 7 | Aromatic-H | 0.1201 | 0.8410

MolWt| * | Molecular Weight Parameter | |-10.3165

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

RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.0000

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

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 | 1 | Aromatic amine [-NH2 or -NH-] | -0.2778 | -0.2778

Frag | 2 | Sulfonic acid / salt -> aromatic attach | -0.3768 | -0.7537

Frag | 1 | Azo group [-N=N-] | 0.0000 | 0.0000

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

Const| * | Equation Constant | | 0.8361

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

RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | -0.8634

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

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:

under test conditions no biodegradation observed

Conclusions:

The screening test ready biodegradability of the substance was calculated using the software BIOWIN v4.10.
The results indicate that C.I. Acid Yellow 9 is not expected to be readily biodegradable.

Executive summary:

Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound C.I. Acid Yellow 9 (CAS no. 2706 -28 -7). The screening tests ready biodegradability of the test substance was calculated using the software BIOWIN v4.10. The results indicate

that C.I. Acid Yellow 9 is not expected to be readily biodegradable in nature.

Description of key information

Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound C.I. Acid Yellow 9 (CAS no. 2706 -28 -7). The screening tests ready biodegradability of the test substance was calculated using the software BIOWIN v4.10. The results indicatethat C.I. Acid Yellow 9 is not expected to be readily biodegradable in nature.

Key value for chemical safety assessment

Biodegradation in water:

under test conditions no biodegradation observed

Additional information

Various data for the test compoundC.I. Acid Yellow 9(CAS No. 2706-28-7)and the study for its read across substance were reviewed for the biodegradation end point which are summarized as below:

Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound C.I. Acid Yellow 9 (CAS no. 2706 -28 -7). The screening tests ready biodegradability of the test substance was calculated using the software BIOWIN v4.10. The results indicatethat C.I. Acid Yellow 9 is not expected to be readily biodegradable in nature.

 

Degradation of Disodium 2-amino-5-[(4-sulphonatophenyl)azo]benzenesulphonate was performed for 28 days according to the OECD TG 302 B guideline (GSBL database, 2016). Concentration of inoculum i.e, activated sludge used was 0.2 g/l. No degradation of test substance was determined by DOC removal parameter in 28 days. Thus, the substance Disodium 2-amino-5-[(4-sulphonatophenyl)azo]benzenesulphonate is not expected to be readily biodegradable in nature.

Biodegradation study was carried out (U. Pagga and O. Brown, 1986) for 42 days for evaluating the percentage biodegradation of the test chemical C. I. Acid Yellow 36using modified OECD Guideline 302B.Activated sludge was used as an inoculum. The sources of the activated sludge were treatment plants conveniently located to the laboratories carrying out the test. These treatment plants received communal and/or industrial wastewater. Concentration of inoculum i.e, activated sludge used was 0.5 g/l and initial test substance conc. used in the study was 100 mg/l.

Analytical methods involve the measurement of extinction at absorption maximum 412 nm and DOC (dissolved organic carbon).The percentage degradation of test substance was found to be 11% by DOC removal. Based on the limit values for classification of Static Test – the test chemical was classified in CATEGORY ‘D’. Thus, the substance C. I. Acid Yellow 36 is not expected to be not readily biodegradable in water.

 

Biodegradation study was conducted (GREIM H, et.al; 1994) for 28 days for evaluating the percentage biodegradability of test substance Amsonic acid disodium salt. The study was performed according toOECD Guideline 302 B (Inherent biodegradability: Zahn-Wellens/EMPA Test). The percentage degradation of test substance was determined to be < 10% in 28 days. Thus, the substance Amsonic acid disodium salt is not expected to be readily biodegradable in water.

 

Biodegradation study was conducted (EnviChem, 2014) for 14 days for evaluating the percentage biodegradability of test substance Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-amino-, sodium salt. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l. No degradation of test substance was found by BOD in 14 days. Thus, the substance Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-amino-, sodium salt is not expected to be readily biodegradable in water.

 

On the basis of above results for target and read across substance, it can be concluded that the test substanceC.I. Acid Yellow 9can be expected to be not readily biodegradable in nature.