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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

Based on a measured partition coefficient of 0.48 (at 25°C; BASF AG, 1998; report: 104217/04), (diethylamino)acetonitrile has a low potential for bioaccumulation or bioconcentration.

In accordance with column 2 of Annex IX, the study on "bioaccumulation in aquatic species, preferably fish" does not need to be conducted if the substance has a low potential for bioaccumulation (for instance a log Kow <= 3) and/or a low potential to cross biological membranes.

(Diethylamino)acetonitrile has a low potential for bioaccumulation as the log Kow was measured to be < 3. Therefore, and for reasons of animal welfare, no bioaccumulation test with fish is conducted.

In addition, according to chapter 2, article 17 of REACH regulation (EC) no. 1907-2006, a study is not required for on-site isolated intermediates.

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

In AD

Restraints

BCF Read-Across v1.0.2

(VEGA v1.0.8)

1

no

the highest similarity value found for similar compounds is notadequate

BCFBAF v3.01

(EPI Suite v4.11):Arnot-Gobas BCF, upper trophic, incl. biotransformation

1

no

The substance ionizes at physiologically relevant pH

BCFBAF v3.01

(EPI Suite v4.11):Arnot-Gobas BCF, upper trophic, incl. biotransformation of zero

1.2

no

The substance ionizes at physiologically relevant pH

CAESAR v2.1.13

(VEGA v1.0.8)

2

yes

-

US EPA T.E.S.T. v4.1: Bioaccumulation: Consensus method

2.3

yes

-

OASIS Catalogic v5.11.16(BCF base-line model v02.08)

Incl. all mitigating factors

2.4

yes

-

Meylan v1.0.2(VEGA v1.0.8)

3

no

only moderately similar in the training set have been found; the reliability of log P value is not adequate.

BCFBAF v3.01

(EPI Suite v4.11):Meylanet al.(1997/1999)

3.2

yes

-

OASIS Catalogic v5.11.16(BCF base-line model v02.08)

without any mitigating factors

11.4

yes

-

 

 

Based on 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 (diethylamino)acetonitrile (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.