Registration Dossier
Registration Dossier
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EC number: 219-669-7 | CAS number: 2494-89-5
Biodegradation in water: screening tests
Administrative data
- Endpoint:
- biodegradation in water: screening tests
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Validated QSAR model
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: Software
- Title:
- Unnamed
- Year:
- 2 000
- Report date:
- 2010
Materials and methods
- Principles of method if other than guideline:
- Calculation with validated model: BIOWIN (v4.10)
Linear and Non-Linear Biodegradation Models (Biowin 1 and 2)
Ultimate and Primary Biodegradation Models (Biowin 3 and 4)
Linear and Non-Linear MITI Biodegradation Model (Biowin 5 and Biowin 6)
Anaerobic Biodegradation Model (Biowin 7) - GLP compliance:
- no
Test material
- Reference substance name:
- Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O
- IUPAC Name:
- Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O
- Details on test material:
- SMILES : Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O
Constituent 1
Results and discussion
% Degradation
- Remarks on result:
- other: BIOWIN: Not readiliy biodegradable
- Details on results:
- BIOWIN (v4.10) Program Results:
==============================
SMILES : Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O
CHEM : Parabasenester
MOL FOR: C8 H11 N1 O6 S2
MOL WT : 281.30
--------------------------- 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): 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
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- other: Does NOT Biodegrade Fast
- Conclusions:
- Does NOT Biodegrade Fast
- Executive summary:
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3799
Biowin2 (Non-Linear Model) : 0.0525
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4426 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3335 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.1507
Biowin6 (MITI Non-Linear Model): 0.0041
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2285
Ready Biodegradability Prediction: NO
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
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