Sodium 1-hydroxyethanesulphonate

Biodegradation in water: screening tests

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

Key value for chemical safety assessment

Biodegradation in water:

readily biodegradable