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EC number: 289-142-4 | CAS number: 86024-59-1
Biodegradation in water: screening tests
Administrative data
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The approach followed in order to evaluate the ready biodegradability is in accordance with what is outlined in the specific endpoint REACH guidance.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: estimation
- Title:
- Unnamed
- Year:
- 2 018
Materials and methods
- Principles of method if other than guideline:
- Qualitative Structure Activity Relationships - screening
- GLP compliance:
- no
Test material
- Reference substance name:
- Trisodium hydrogen [2-[[α-[[3-[[4-chloro-6-[ethyl[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulphophenyl]azo]benzyl]azo]-4-sulphobenzoato(6-)]cuprate(4-)
- EC Number:
- 289-142-4
- EC Name:
- Trisodium hydrogen [2-[[α-[[3-[[4-chloro-6-[ethyl[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulphophenyl]azo]benzyl]azo]-4-sulphobenzoato(6-)]cuprate(4-)
- Cas Number:
- 86024-59-1
- Molecular formula:
- C33H24ClCuN9O15S4.3Na
- IUPAC Name:
- Trisodium hydrogen [2-[[α-[[3-[[4-chloro-6-[ethyl[4-[[2(sulphooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulphophenyl]azo]benzyl]azo] -4-sulphobenzoato(6-)]cuprate(4-)
Constituent 1
Results and discussion
% Degradation
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
Any other information on results incl. tables
The screening procedure has been performed using the chemical structure drawn with and without Na salts, for completeness sake.
Non-linear model prediction (BIOWIN 2): 0.0000; does not biodegrade fast.
Ultimate biodegradation timeframe prediction (BIOWIN 3): 0.4140
Biowin5 (MITI linear model): -2.1369
MITI non-linear model prediction (BIOWIN 6): 0.0000; does not biodegrade fast
Applicant's summary and conclusion
- Interpretation of results:
- other: expected as not readily biodegradable
- Conclusions:
- Expected as not readily biodegradable.
- Executive summary:
Based on the physical-chemical properties and based on the knowledge of its biodegradation pathway, the substance is not expected to be ready biodegradable. In order to support this conclusion the ready biodegradability was evaluated using calculation tools.
The QSAR based screening criterion for identifying substances for persistency (P and vP) confirmed that the substance is expected to be persistent.
Conclusion
The substance is expected to be non-ready biodegradable.
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