Registration Dossier
Registration Dossier
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EC number: 247-371-7 | CAS number: 25961-11-9
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- disregarded due to major methodological deficiencies
- Reliability:
- 3 (not reliable)
- 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
Data source
Reference
- Reference Type:
- other: QSAR model
- Title:
- Water solubility at 25°C - TEST
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.
Test material
- Details on test material:
- The SMILES included in the reference substance linked in Section 1 (General information) was used as model input.
Results and discussion
Water solubility
- Water solubility:
- ca. 12.31 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: Prediction by Consensus method
Applicant's summary and conclusion
- Conclusions:
- The substance is predicted to have awater solubility at 25°C of 12.31 mg/L. However the prediction is deemed to be not reliable as the predicted compound could be out of the Applicability Domain of the model
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