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Diss Factsheets

Environmental fate & pathways

Biodegradation in water: screening tests

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Administrative data

Link to relevant study record(s)

Reference
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:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
The chemical is in the parametric and metabolic domain of the model. Although the chemical is out of structural domain, 87.5% of the identified Atom Centered Fragments are in correctly predicted training chemicals and only 12.5% der fragments are not present in the training chemicals.
Justification for type of information:
1. SOFTWARE
OASIS Catalogic v5.11.19

2. MODEL (incl. version number)
Catalogic 301 C, v.10.14 – June, 2017

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CC(O)S(=O)(=O)O{-}.[Na]{+}

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.

5. APPLICABILITY DOMAIN
See attached QPRF.

6. ADEQUACY OF THE RESULT
- The model is scientifically valid (see attached QMRF).
- The model estimates the bioconcentration factor (BCF) as required information point under Regulation (EC) No 1907/2006 [REACH], Annex VII, 9.2.1.1. Ready biodegradability (see also attached QPRF).
- See attached QPRF for reliability assessment.
Principles of method if other than guideline:
Calculation using Catalogic v5.12.1
Submodel name: Catalogic 301 C
Version: v.10.14 - June, 2017
Parameter followed for biodegradation estimation:
O2 consumption
Key result
Parameter:
% degradation (O2 consumption)
Value:
93
Sampling time:
28 d
Remarks on result:
readily biodegradable based on QSAR/QSPR prediction
Interpretation of results:
readily biodegradable

Description of key information

Key value for chemical safety assessment

Biodegradation in water:
readily biodegradable

Additional information