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EC number: 208-523-8 | CAS number: 532-02-5
Biodegradation in water: screening tests
Administrative data
- 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.
Data source
Reference
- Reference Type:
- other: Prediction model
- Title:
- Biodegradation in water by EPI (Estimation Programs Interface) Suite
- Author:
- Sustainability Support Service (Europe) AB - estimated
- Year:
- 2 016
- Bibliographic source:
- Estimation Programs Interface Suite™ United States Environmental Protection Agency, Washington, DC, USA. version 4.1
Materials and methods
Test guideline
- 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 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
Test material
- Reference substance name:
- Sodium naphthalene-2-sulphonate
- EC Number:
- 208-523-8
- EC Name:
- Sodium naphthalene-2-sulphonate
- Cas Number:
- 532-02-5
- Molecular formula:
- C10H8O3S.Na
- IUPAC Name:
- sodium naphthalene-2-sulphonate
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
- Details on test material:
- - Name of test material (as cited in study report): Sodium naphthalene-2-sulphonate
- Substance type: Organic
Constituent 1
Study design
- Oxygen conditions:
- other: aerobic (Biowin 1-6) and anaerobic (Biowin 7)
- Inoculum or test system:
- other: mixed populations of environmental microorganisms
- Details on inoculum:
- no data
- 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.
Results and discussion
- Details on results:
- Biowin1 (Linear Model Prediction) : 0.4246 Does Not Biodegrade Fast
Biowin2 (Non-Linear Model Prediction): 0.2736 Does Not Biodegrade Fast
Biowin3 (Ultimate Biodegradation Timeframe): 2.8812 Weeks
Biowin4 (Primary Biodegradation Timeframe): 3.5689 Days-Weeks
Biowin5 (MITI Linear Model Prediction) : 0.1723 Does Not Biodegrade Fast
Biowin6 (MITI Non-Linear Model Prediction): 0.1227 Does Not Biodegrade Fast
Biowin7 (Anaerobic Model Prediction): -0.2088 Does Not Biodegrade Fast
Ready Biodegradability Prediction: NO
Any other information on results incl. tables
BIOWIN (v4.10) Program Results:
==============================
SMILES : O([Na])S(=O)(=O)c2ccc1ccccc1c2
CHEM : 2-Naphthalenesulfonic acid, sodium salt
MOL FOR: C10 H7 O3 S1 Na1
MOL WT : 230.22
--------------------------- BIOWIN v4.10 Results ----------------------------
************************************************************************
* WARNING - The entered structure contains Na, K or Li *
* ---- The metal WAS NOT REMOVED for these calculations ---- *
* Option of Removal/Non-Removal available from entry screen menu-bar. *
* For additional information, see the BIOWIN Help file. *
************************************************************************
Biowin1 (Linear Model Prediction) : Does Not Biodegrade Fast
Biowin2 (Non-Linear Model Prediction): Does Not Biodegrade Fast
Biowin3 (Ultimate Biodegradation Timeframe): Weeks
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
***********************************************************************
* Sulfonic acid salt (Na, K, or Li) detected...Mol Wt for prediction *
* modified to use the acid Mol Wt (208.23)
***********************************************************************
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Sulfonic acid / salt -> aromatic attach | -0.2238 | -0.2238
MolWt| * | Molecular Weight Parameter | | -0.0991
Const| * | Equation Constant | | 0.7475
============+============================================+=========+=========
RESULT | Biowin1 (Linear Biodeg Probability) | | 0.4246
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Sulfonic acid / salt -> aromatic attach | -1.0283 | -1.0283
MolWt| * | Molecular Weight Parameter | | -2.9569
============+============================================+=========+=========
RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.2736
============+============================================+=========+=========
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 | Sulfonic acid / salt -> aromatic attach | 0.1422 | 0.1422
MolWt| * | Molecular Weight Parameter | | -0.4602
Const| * | Equation Constant | | 3.1992
============+============================================+=========+=========
RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 2.8812
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Sulfonic acid / salt -> aromatic attach | 0.0216 | 0.0216
MolWt| * | Molecular Weight Parameter | | -0.3004
Const| * | Equation Constant | | 3.8477
============+============================================+=========+=========
RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.5689
============+============================================+=========+=========
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 | Sulfonic acid / salt -> aromatic attach | 0.0221 | 0.0221
Frag | 7 | Aromatic-H | 0.0082 | 0.0575
MolWt| * | Molecular Weight Parameter | | -0.6195
Const| * | Equation Constant | | 0.7121
============+============================================+=========+=========
RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 0.1723
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Sulfonic acid / salt -> aromatic attach | 0.6780 | 0.6780
Frag | 7 | Aromatic-H | 0.1201 | 0.8410
MolWt| * | Molecular Weight Parameter | | -6.0114
============+============================================+=========+=========
RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.1227
============+============================================+=========+=========
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 | Sulfonic acid / salt -> aromatic attach | -0.3768 | -0.3768
Frag | 7 | Aromatic-H | -0.0954 | -0.6680
Const| * | Equation Constant | | 0.8361
============+============================================+=========+=========
RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | -0.2088
============+============================================+=========+=========
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.
Applicant's summary and conclusion
- Interpretation of results:
- other: not readily biodegradable
- Conclusions:
- The screening test inherent to the biodegradability of the substance was calculated using the software BIOWIN v4.10.
The results indicate that Sodium naphthalene-2-sulphonate is not expected to be readily biodegradable. - Executive summary:
The screening test inherent to the biodegradability of the substance was calculated using the software BIOWIN v4.10.
The results indicate that Sodium naphthalene-2-sulphonate is not expected to be readily biodegradable.
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