Registration Dossier
Registration Dossier
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EC number: 264-261-4 | CAS number: 63469-23-8
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)
- Remarks:
- calculation of log Koc for ionized molecule
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline followed
- 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
- Type:
- Koc
- Value:
- 57.4 dimensionless
- pH:
- 5
- Type:
- log Koc
- Value:
- 1.76 dimensionless
- pH:
- 5
- Type:
- Koc
- Value:
- 57.4 dimensionless
- pH:
- 7
- Type:
- log Koc
- Value:
- 1.76 dimensionless
- pH:
- 7
- Conclusions:
- The adsorption coefficient of the substance was estimated based on the approach developed by Franco and Trapp (2008). A log Koc value of 1.76 (Koc = 57.4) was calculated for the substance at pH 5 and 7.
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. A Koc value of 57.4 (logKoc = 1.76) was calculated based on a measured pKa value of 10.2.
Key value for chemical safety assessment
- Koc at 20 °C:
- 57.4
Additional information
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