Registration Dossier
Registration Dossier
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EC number: 210-545-8 | CAS number: 618-36-0
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Adsorption to the solid soil phase is expected. However, the substance is readily biodegradable and has a low log Kow.
Key value for chemical safety assessment
Additional information
In accordance with column 2 of REACH Annexes VIII and IX, the study does not need to be conducted if based on the physicochemical properties the substance can be expected to have a low potential for adsorption (e.g. the substance has a low octanol water partition coefficient), or the substance and its relevant degradation products decompose rapidly. DL-alpha-methylbenzylamine (CAS 618-36-0) has an estimated log Kow of 1.49 (BASF SE, 2011) and is readily biodegradable (BASF AG, 2003, report no. 02/0624/21/1; BASF AG, 1996, report no. 96/0108/21/1).
The Koc was estimated using both models of KOCWIN v2.00 of EPI Suite v4.10. Using the Molecular Connectivity Index (MCI) which is regarded as more reliable compared to the log Kow method, the log Koc for the uncharged molecule was estimated to be 2.63 (Koc = 428 L/kg). Based on the estimated log Kow of 1.49, the log Koc was estimated at 1.73 (Koc = 53.4 L/kg) using the log Kow method. Both estimates refer to the uncharged molecule (BASF SE, 2013). Both estimations were inside the applicability domain of the model.
However, the pKa of 9.63 indicates that methylbenzylamine will primarily exist as a cation in the environment. Cations generally adsorb stronger to soils containing organic carbon and clay than their neutral counterparts. Regarding the charged molecule, at pH 7 the log Koc was estimated to be 3.37 (Koc = 2327 L/kg) following the method of Franco & Trapp (2008, 2009, 2010) and using the pKa of 9.63 and the estimated log Kow for the uncharged molecule of 1.49. The correction was performed for pH 5, 7, and 8, which represents 98% of the European soils. The value at pH 7 will be used as key value, i.e. for PEC and PNEC calculations. Based on this value, adsorption to the soild soil phase is expected. Since the substance is readily buidegradable, adsorption in soils is not very likely.
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