Registration Dossier
Registration Dossier
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EC number: 202-885-0 | CAS number: 100-74-3
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
The Koc of the substance was calculated following Franco & Trapp (2008) to be 956 and 767 (logKoc = 2.98 and 2.88) at pH 5 and 7, respectively.
Key value for chemical safety assessment
- Koc at 20 °C:
- 767
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 using KocWIN v2.00. This resulted in Koc values of 7.024 L/kg or 13.79 L/kg (KocWIN v2.00), based on log Kow and 1st order molecular connectivity index, respectively. As these calculations do not account for the charged molecule, a further calculation according to Franco & Trapp (2008) was performed showing Koc values of 956 and 767 (logKoc = 2.98 and 2.88) at pH 5 and 7, respectively. A pKa of 7.57 and a log Pow of 0.08 (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: 2.88]
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