Registration Dossier
Registration Dossier
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EC number: 266-587-2 | CAS number: 67151-63-7
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the physicochemical properties of the substance indicate that it can be expected to have a low potential for adsorption
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- The Koc of the substance was calculated based on the approach presented in Franco and Trapp (2008), where regressions were developed to predict separately the Koc for the neutral and ionic molecule species of organic electrolytes from their log Kow and pKa values.
- GLP compliance:
- no
- Key result
- Type:
- Koc
- Value:
- 202.8 L/kg
- Remarks on result:
- other: pKa = 9.6
- Type:
- Koc
- Value:
- 499.3 L/kg
- Remarks on result:
- other: pKa = 8.9
- Conclusions:
- The adsorption coefficient of the substance was estimated based on the approach developed by Franco and Trapp (2008). The Koc values of 202.3 and 499.3 L/kg were calculated for the pKa values of 9.6 and 8.9 respectively.
Referenceopen allclose all
Description of key information
The adsorption of the substance was calculated based on the approach developed by Franco and Trapp (2008) for the estimation of soil-water partition coefficients for ionisable organic chemicals. In this approach, regressions were developed to predict separately the Koc for the neutral and ionic molecule species of organic electrolytes based on the substance's log Kow and pKa. Koc values of 202.8 (logKoc = 2.3) and 499.3 (log Koc = 2.7) were calculated using predicted pKa values of 9.6 and 8.9 respectively. The lowest value was used as a worst case key value for the chemical safety assessment.
Key value for chemical safety assessment
- Koc at 20 °C:
- 202.8
Additional information
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