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Environmental fate & pathways

Adsorption / desorption

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Description of key information

Adsorption to solid soil phase is expected.

Key value for chemical safety assessment

Additional information

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 1 -Tridecanamine (CAS 2869 -34 -3) (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.

 

Assessment of adsorption potential:

Tridecylamine, branched and linear (CAS 86089-17-0), has been deleted from the list of potential PBT/vPvB substances since the substance does not fulfil the PBT and vPvB criteria (ESIS, 2008). It is a mixture composed of (predominantly) groups of isomers with chain lengths ranging from C11 to C14 and, to a minor content, of C10 alkylamines. The main fraction are C13 -amines, followed by the C12 - , C11 - and C14 -amines.

GC/MS analysis confirmed the following relative distribution of the detected C10 to C14 alkylamines (BASF AG, 2005; normalized to 100%):

- C10 -amines: 1%

- C11- amines: 12%

- C12 -amines: 16%

- C13 -amines: 68%

- C14 -amines: 3%

Based on read-across to the analogue C18 substance octadecylamine (CAS 124 -30 -1), a log Koc of 4.54 (Koc = 34850) was determined (Slangen, 2000).

The log Koc for the supporting C13 substance 1- tridecanamine (CAS 2869 -34 -3) was calculated to be greater than 3 (log Koc: 3.8 to 4.0; KOCWIN v2.99; BASF SE, 2009). This value refers to the uncharged molecule.

In support, the Koc of the analogue C13 substance 1 -Tridecanamine was estimated using the log Kow and MCI method of KOCWIN v2.00 implemented in EPI Suite v4.11:

- 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 3.99 (Koc = 9805 L/kg). This estimate was inside the applicability domain of the model.

- Using the log Kow method the log Koc was estimated to be 3.81 (Koc = 6416 L/kg), based on the calculated log Kow of 5.25 (estimated by KOWWIN v.1.68 implemented in Episuite v.4.11). This estimate was within the applicability domain of the model.

Both estimates refer to the uncharged molecule (BASF SE, 2014); the pH-corrected log Koc of 4.56 was estimated according to Franco & Trapp (2008/2009/2010) and is based on a log Kow of 5.25 (CAS 2869 -34 -3) and a pKa of 10.35 as determined for TDA, b+l (BASF, 2016). The 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.

 

It can be concluded that adsorption of the substance to the solid soil phase is expected.