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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Administrative data

Link to relevant study record(s)

Description of key information

Significant accumulation in organisms is not to be 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 the substance (Q)SAR results were used for aquatic bioaccumulation. 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, and for reasons of animal welfare, further experimental studies on aquatic bioaccumulation are not provided.



 


Assessment:


Experimental data on the bioaccumulation of the substance are not available; therefore, the bioaccumulation potential was assessed based on estimated BCF values of the valid and well-established QSAR model Catalogic BCF base-line v05.12 (OASIS Catalogic v5.15.2.14) for the substance in its charged and its uncharged form. In the environmentally relevant pH range (pH 4 to pH 9), N-(2-aminoethyl)-1,3-propanediamine is present in its charged form. To take account for the charge of the substance, the BCF was calculated based on the log Kow (uncharged form) as well as the log D (charged form). In a worst-case approach, the highest log D in the environmentally relevant pH range was selected (log D = -4.1 at pH 9). 


The BCF baseline model can estimate the BCF for substances considering mitigation factors like molecular size, water solubility, and metabolism. The BCF values for the charged and the uncharged form of the substance were almost identical: BCF = 2.95 L/kg (charged) and 2.69 L/kg (uncharged). The maximum BCF, which does not consider any mitigating factors, was 9.15 L/kg for the charged molecule and 9.2 L/kg for the uncharged molecule. In both cases, water solubility had the highest impact on the bioaccumulation potential, while metabolism and molecular size reduce the BCF only to a minor part (BASF SE, 2022). In both approaches, the substance is completely within the applicability domain of the model (parametric, structural, mechanistic and metabolic domains). 


Based on the available experimental and estimated data, it can be concluded that significant accumulation in organisms is not to be expected.