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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Description of key information

Based on the main components, it is expected that the mixture does not significantly accumulate in aquatic organisms.

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 labelling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.

For the assessment of "oxirane, reaction products with ammonia, distn. residues" (CAS 68953-70-8) (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

Since "oxirane, reaction products with ammonia, distn. residues" (CAS 68953-70-8) is a mixture consisting of a variety of components a single bioconcentration factor or log Kow cannot be calculated. Therefore, the bioaccumulation potential was assessed based on a weight-of-evidence approach including the available experimental and estimated BCF and log Kow values of the main components of AMIX TE which are covering more than 90% of the UVCB.

The log Kow values range from -1.62 (CAS 122-96-6) to 1.34 (CAS 102-71-6). In accordance with column 2 of REACH Annex IX, a bioaccumulation study need not be conducted since the main components of the mixture have a log Kow less than 3. Based on the log Kow of less than 3 bioaccumulation is not to be expected in aquatic organisms.

Regarding BCF data, there is one experimental result available for the main component 2,2’,2’’-Nitrilotriethanol (CAS 102-71-6; typical concentration of AMIX TE: 86%). The study was conducted according to the OECD test guideline 305 was performed.Cyprinus carpiowas used as test species. The maximum BCF determined in this study was < 3.9 (MITI 1992). No further experimental data are available.

In addition BCF values for the three main constituents were estimated using several QSAR models: EPI Suite v4.11: BCFBAF v3.01; VEGA v1.1.1/v1.1.3: CAESAR v2.1.14, Meylan v1.0.3, KNN/Read-Across v1.1.0; T.E.S.T. v4.2.1; OASIS Catalogic v5.11.17/v5.11.19: BCF baseline model v02.09. The table below lists the applied models and the resulting BCF values as well as 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. All BCF values indicate that significant bioaccumulation in organisms is not to be expected. The maximum BCF value is 19.1 without considering any mitigating factors, which could be reduced to 6.8 after considering mitigating factors like water solubility, metabolism and molecular size. Detailed results of the BCF models are listed in the table below. It can be concluded that significant bioaccumulation of AMIX TE is not to be expected.

 

Chemical name

Oxirane, reaction products with ammonia, distn. residues

2,2’,2’’-Nitrilotriethanol

2,2’-[[2-(2-Hydroxyethoxy)ethyl]imino] bisethanol

N,N,N',N'-Tetra-(2-hydroxyethyl)-bis 2,2'-aminoethylether

CAS no.

68953-70-8

102-71-6

17626-34-5

55468 -09 -2

BIOACCUMULATION (BCF, L/kg):

Exp. data

no data

MITI (1992):Cyprinus carpio: BCF < 3.9 L/kg

no data

no data

Calc. data

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

no data

3.6*

3.2*

3.2*

CAESAR v2.1.14 (VEGA v1.1.3)

no data

3.0*

1.0*

1.0#

Meylan v1.0.3 (VEGA v1.1.3)

no data

3.0#

3.0#

3.2#

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

no data

1.26*

0.91#

0.5#

T.E.S.T. v4.2.1 (US EPA, 2012)

no data

0.46*

0.76*

0.36*

BCF baseline-model v02.09 (OASIS Catalogic v5.11.19)

1) including mitigating factors

no data

6.76*

2.34*

2.34*

2) without mitigating factors

no data

19.14*

9.16*

9.14*

Octanol-water partition coefficient (log Kow, 25 °C)

1) Exp. data (see IUCLID Ch. 4.7)

no data

-2.3 at pH 7.1

1.34 at pH 9.5

no data

-1.62 at pH 9.4-9.7

2) KOWWIN v1.68 (EPI Suite v4.11)

no data

-2.48*

-2.75*

-1.92*

Conclusion

Significant accumulation in organisms is not expected based on measured and estimated BCF data (max. BCF = 19, est.) as well as log Kow values < 3 (measured and estimated; see IUCLID Ch. 4.7) for the main constituents which represent ca. 90% of the UVCB.

The substance does not significantly accumulate in organisms.

Significant accumulation in organisms is not expected.

Significant accumulation in organisms is not expected.

Legend:

*: The substance is within the applicability domain of the model.

#: The substance is not within the applicability domain of the model.