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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Description of key information

Significant accumulation in organisms is not to be expected.

Key value for chemical safety assessment

Additional information

No studies are available for the bioaccumulation assessment of the substance.

According to Regulation (EC) 1907 (2006) Annex IX, Section 9.3.2, Column 2, a study on bioaccumulation does not need to be conducted as the substance has a low potential for bioaccumulation. The substance has a log Kow of -1.2 (KOWWIN v1.68, estimated; see IUCLID Ch. 4.7). Regarding this value, significant accumulation of the test substance in organisms is not to be expected. Therefore, and for reasons of animal welfare, a study on bioaccumulation is not provided.

 

However, in order to assess the bioaccumulation potential of the test substance, the BCF was calculated with several estimation models. The table below lists the applied (Q)SAR models, the estimated BCF values and basic information on the applicability domain (AD). Detailed information on the model’s results and the AD are given in the endpoint study records of IUCLID Chapter 5.3.1. The selected models comply with the OECD principles for (Q)SAR models.

 

Summary of relevant information on aquatic bioaccumulation: Predicted BCF values for applied QSAR models sorted by BCF: (AD = Applicability Domain)

Model

BCF [L/kg]

In AD

Restraints

BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas, upper trophic level, incl. biotransformation

0.9

No

As the substance ionizes at physiologically relevant pH, the estimation may be less accurate.

BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas, upper trophic level, without biotransformation

0.9

No

As the substance ionizes at physiologically relevant pH, the estimation may be less accurate.

US EPA T.E.S.T.v4.2.1: Bioaccumulation: Consensus method

0.99

Yes

Based on the mean absolute error, the confidence in the predicted BCF values is high.

BCFBAF v3.01 (EPI Suite v4.11): Meylan et al (1997/1999)

1.7

Yes

-

BCF baseline model v3.10 (OASIS Catalogic v5.13.1): without mitigating factors

2.6

No

The substance is in the parametric and the mechanistic domain, but not completely in the structural domain (correct: 60%).

KNN/Read-Across v1.1.0 (VEGA v1.1.3)

3.2

Yes

-

BCF baseline model v3.10 (OASIS Catalogic v5.13.1): incl. mitigating factors

9.3

No

The substance is in the parametric and the mechanistic domain, but not completely in the structural domain (correct: 60%).

 

Considering all models applied the estimated BCF values range from 0.9 to 9.3 L/kg. Based on the available information on the log Kow (log Kow <3) and supported by a weight-of-evidence approach from calculated data, it can be concluded that significant accumulation in organisms 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 propylenediamine (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.