Registration Dossier
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EC number: 225-266-7 | CAS number: 4747-21-1
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Adsorption to the solid soil phase is not expected.
Key value for chemical safety assessment
Additional information
The adsorption potential was estimated for N-methylisopropylamine (CAS 4747-21-1) using the MCI and the Kow methods of the PCKOCWIN v2.00 module from SRC EPI Suite v4.10. These estimates are representative for uncharged molecules. The substance ionises in aqueous solutions, therefore the adsorption coefficient was calculated according to Franco & Trapp (2008, 2009, 2010) to correct for the charged molecule at pH 5, 7, and 8. The Koc values are listed below.
Uncharged molecule:
- MCI method: Koc = 22.79; log Koc = 1.36
- Kow method: Koc = 14.76; log Koc = 1.17
Charged molecule:
- Franco & Trapp, 2008, 2009, 2010:
pH 5 to 8: Koc = 77; log Koc = 1.89
- REACH Guidance R.7, appendix R7.1 -2, page 189:
pH 4: Koc = 3.70 E-06; log Koc = -5.43
pH 5: Koc = 3.70 E-05; log Koc = -4.43
pH 7: Koc = 3.70 E-03; log Koc = -2.43
pH 9: Koc = 3.64 E-01; log Koc = -0.44
The pKa of 11.1 indicates that the molecule will exist primarily as a cation in the environment and cations generally adsorb stronger to soils containing organic carbon and clay than their neutral counterparts. Hence, the KOCWIN model may underestimate adsorption to organic carbon since it does not consider the ionic structure of the molecule. Under environmental conditions (pH from 5 to 8) the test substance is almost completely present in its charged form. Regarding the charged molecule, at pH 7 the log Koc was estimated to be 1.89 (Koc = 77 L/kg) following the method of Franco & Trapp (2008, 2009, 2010) with the pKa of 11.1 and the measured log Kow for the uncharged molecule of 0.52. 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.
Adsorption to the solid soil phase is not expected. Moreover, the chemical is readily biodegradable.
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