Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
other information
Study period:
20 Aug 2020
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, and documentation / justification is limited
Justification for type of information:
Koc result has been reported to regulatory agencies. This study summary was prepared to acknowledge the result. The model appears to be a valid QSAR based on examination of model documentation. However, the training set includes only a limited number of substances with trifluoromethyl functionality and none with higher perfluoroalkyl functionality. The applicability was not determined.

Data source

Reference
Reference Type:
other:
Title:
KOCWIN 2.00
Year:
2011
Report date:
2020

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Guidance on information requirements and chemical safety assessment: Chapter R.6: QSARs and grouping of chemicals
GLP compliance:
no
Remarks:
QSAR model
Type of method:
other: QSAR model
Media:
soil

Test material

Specific details on test material used for the study:
1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-
SMILES: FC(F)(C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)NC

Results and discussion

Adsorption coefficient
Key result
Type:
Koc
Value:
1 070 L/kg
Remarks on result:
other: QSAR result, pH and temperature not provided

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Conclusions:
MeFBSA has an estimated Koc of 1070 L/kg
Executive summary:

Adsorption/desorption coefficient of MeFBSA was calculated using KOCWIN v2.00 software within Episuite v.4.11. This result has been reported to other jurisdictions. The model appears to be valid, but an examination of model training set shows no similar substances. In particular, fluorinated compound representation in the training set compounds is limited to a small number of trifluoromethyl-derived substances, apparently pesticides. The model appears reliable, but its applicability to this substance has not been demonstrated and the result is presented as such. Reliability is not assignable.