Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 242-978-3 | CAS number: 19344-29-7
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Adsorption to solid soil phase is not expected.
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 if the substance and its relevant degradation products decompose rapidly. 3-[(2-hydroxyethyl)amino]propanol (CAS 19344-29-7) has a log Kow of -1.22 (calculated; KOWWIN v1.68, EPISuite v4.11; BASF SE, 2015) and is readily biodegradable (BASF AG 1996; Study no. 96/0151/21/1).
However, in order to assess the target substance's adsorption potential, the Koc was estimated using QSAR models. According to the MCI method of the KOCWIN v2.00 module of EPI Suite v4.11, 3-[(2-hydroxyethyl)amino]propanol has a Koc of 1.0. The MCI module is more reliable than the second method of KOCWIN v2.00, which estimates the KOC based on the log Kow. The latter method resulted in a Koc of 0.242. These estimates are representative for uncharged molecules. However, the substance is outside the applicability domain of both models as the number of occurrence of one fragment was exceeded (2 instead of 1). Therefore, the Koc estimates may be less accurate.
At environmentally relevant conditions, 3-[(2-hydroxyethyl)amino]propanol will be present in its ionised form (pKa = 9.78; BASF SE, 2015). 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. This pH range is representative for 98% of the European soils. The resulting Koc of 17 L/kg at pH 5 to pH 8 is used as key value.
The Franco&Trapp model is not yet validated; in addition, the applicability domain is not clearly defined. Nevertheless, the Koc values of the Franco & Trapp method give a good indication on the adsorption potential of a substance depending on the pH conditions of soil. The method is based on the dissociation constant pKa and the log Kow for the uncharged molecule.
Based on the available calculated data, it can be concluded that adsorption to the solid soil phase is not to be expected.
QSAR-disclaimer
In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met. Furthermore according to Article 25 of the same Regulation testing on vertebrate animals shall be undertaken only as a last resort.
According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.
For the assessment of 3-[(2-hydroxyethyl)amino]propanol (Q)SAR results were used for the estimation of the adsorption potential. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment.
Therefore, further experimental studies on the adsorption potential are not provided.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
