Registration Dossier
Registration Dossier
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EC number: 229-194-7 | CAS number: 6425-39-4
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Remarks:
- calculation of log Koc for ionized molecule
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- Scientifically acceptable calculation method
- GLP compliance:
- no
- Type:
- Koc
- Value:
- 1 876
- Remarks on result:
- other: pH 5.0
- Type:
- log Koc
- Value:
- 3.27
- Remarks on result:
- other: pH 5.0
- Type:
- Koc
- Value:
- 784
- Remarks on result:
- other: pH 7.0
- Type:
- log Koc
- Value:
- 2.89
- Remarks on result:
- other: pH 7.0
- Conclusions:
- The Koc of the substance was calculated following Franco & Trapp (2008) to be 1876 and 784 (logKoc = 3.27 and 2.89) at pH 5 and 7, respectively.
Reference
Description of key information
The Koc of the substance was calculated following Franco & Trapp (2008) to be 1876 and 784 (logKoc = 3.27 and 2.89) at pH 5 and 7, respectively.
Key value for chemical safety assessment
- Koc at 20 °C:
- 784
Additional information
Since the test substance's physicochemical properties indicate a low potential for adsorption, no study needed to be conducted according to REACH Annex VIII 9.3.1 column 2. Nevertheless, estimates of the Koc were made according to Franco & Trapp (2008) showing Koc values of 1876 and 784 (logKoc = 3.27 and 2.89) at pH 5 and 7, respectively. A pKa of 6.8 and a log Pow of 0.5 (uncharged molecule) were used as input-parameter.
As pH 7 is considered most representative as environmental pH, the related Koc is used as the key value for the chemical safety assessment.
[LogKoc: 2.89]
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