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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Description of key information

Significant accumuation in organisms is not to be expected.

Key value for chemical safety assessment

Additional information

In order to assess the bioaccumulation potential of butyl vinyl ether (CAS 111-34-2), BCF values were estimated using several (Q)SAR 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 for butyl vinyl ether (CAS 111-34-2): Predicted BCF values for applied QSAR models sorted by BCF: (AD = Applicability Domain)

Model

BCF [L/Kg]

In AD

CAESAR v2.1.14 (VEGA v1.1.1)

5.0

No

T.E.S.T. v4.1; Consensus method

7.86

Yes

Meylan v1.0.3 (VEGA v1.1.1)

8.0

No

BCFBAF v3.01 (EPI Suite v4.11):

Meylan et al. 1997/1999

55.6

Yes

KNN/Read Across v1.1.0 (VEGA v1.1.1)

91.2

No

BCFBAF v3.01 (EPI Suite v4.11):

Arnot-Gobas BCF, upper trophic, incl. biotransformation

95.2

Yes

BCFBAF v3.01 (EPI Suite v4.11):

Arnot-Gobas BCF, upper trophic, incl. biotransformation of zero

151.2

Yes

 

Considering all estimation models applied the estimated BCF values range from 5.0 to 151.2 L/kg. Therefore, it can be concluded that significant accumulation in organisms is not to be expected for butyl vinyl ether (CAS 111-34-2).

 

Conclusion:

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 butyl vinyl ether (CAS 111-34-2) (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.

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