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Environmental fate & pathways

Biodegradation in water: screening tests

Administrative data

Endpoint:
biodegradation in water: screening test, other
Remarks:
calculation
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Data source

Referenceopen allclose all

Reference Type:
publication
Title:
Comparison of two methods for obtaining degradation half-lives
Author:
Gouin T, Cousins I, Mackay D.
Year:
2004
Bibliographic source:
Chemosphere. 2004 Aug;56(6):531–5.
Report Date:
2004
Reference Type:
other company data
Title:
Unnamed
Year:
2018
Report Date:
2018

Materials and methods

Test guideline
Guideline:
other: QSAR

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid
Specific details on test material used for the study:
chemical structure was used as input

Results and discussion

% Degradation
Key result
Parameter:
half-life in days (QSAR/QSPR)
Value:
> 28
Sampling time:
28 d
Remarks on result:
not readily biodegradable based on QSAR/QSPR prediction
Details on results:
CAS Number:
SMILES : O([Na])S(=O)(=O)C1=CC(=N#N)C(=O)c2ccccc12
CHEM :
MOL FOR: C10 H5 N2 O4 S1 Na1
MOL WT : 272.21
--------------------------------- Biowin Summary ----------------------------------------------

Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7436
Biowin2 (Non-Linear Model) : 0.9971
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8163 (weeks )
Biowin4 (Primary Survey Model) : 3.6416 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1152
Biowin6 (MITI Non-Linear Model): 0.0431
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.4488
Ready Biodegradability Prediction: NO

Applicant's summary and conclusion

Interpretation of results:
not readily biodegradable