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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Description of key information

Bioaccumulation 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 Diethylamine (CAS 109 -89 -7) (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:

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 an experimentally determined log Kow of 0.58 (measured value from database Beilstein 2007, see IUCLID Ch. 4.7). Regarding this value, accumulation of the substance in organisms is not to be expected. Therefore, and for reasons of animal welfare, a study on bioaccumulation is not provided.

In order to assess the bioaccumulation potential of the substance, BCF values were 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 BCF, upper trophic, incl. biotransformation

1.26

no

The calculation methods may be less accurate, due to the substance's property to appreciably ionize at physiological pH.

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

1.3

no

The calculation methods may be less accurate, due to the substance's property to appreciably ionize at physiological pH.

KNN/Read-Across v1.1.0 (VEGA v1.1.5)

1.55

yes

 

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

2.14

yes

 

BCF base-line model v3.10 (OASIS Catalogic v5.13.1): Considering all mitigating factors

2.69

yes

 

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

3.16

yes

 

BCF base-line model v3.10 (OASIS Catalogic v5.13.1): Without considering any mitigating factors

11.9

yes

 

Considering all models applied, the estimated BCF values range from 1.26 to 11.9 L/kg. Based on the available information on the log Kow (log Kow = 0.58; measured, Beilstein 2007) accumulation of diethylamine in organisms is not to be expected. The weight-of-evidence approach from calculated data indicated BCF values to be far below 500 L/kg. It can be concluded that bioaccumulation of diethylamine (CAS 109 -89 -7) in organisms is not to be expected.