Registration Dossier

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

Currently viewing:

Administrative data

Link to relevant study record(s)

Description of key information

Significant accumulation in organisms is not to be expected.

Key value for chemical safety assessment

BCF (aquatic species):
3.16 L/kg ww

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 DMAPA (CAS 109-55-7) (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:

In accordance with column 2 of REACH Annex IX, the study need not be conducted since the substance has a log Kow ≤ 3. The substance DMAPA (CAS 109-55-7) has a measureded log Kow of -0.35 (BASF AG, 1988).  

 

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 (AD = Applicability Domain)

Model

BCF

In AD

Restraints

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

1.2

yes

-

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

1.66

yes

-

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

0.91

no

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

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

0.94

no

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

BCF baseline model v02.09 (OASIS Catalogic v5.11.19): incl. mitigating factors

2.3

yes

-

Meylan v1.0.3

(VEGA v1.1.3)

3

no

The result may be not reliable because of the following issues:

- only moderately similar compounds with known experimental value have been found

- reliability of logP value used by the model is not adequate

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

3.2

yes

-

CAESAR v2.1.14 (VEGA v1.1.3)

2

No

The result may be not reliable because of the following issues:

- only moderately similar compounds with known experimental value have been found

BCF baseline model v02.09 (OASIS Catalogic v5.11.19): not considering mitigating factors

9.7

yes

-

 

 

Conclusion:

The applied estimation models predicted for DMAPA (CAS 109-55-7) BCF values in a range between 1.2 L/kg (US EPA T.E.S.T. v4.1: Bioaccumulation: Consensus method; substance within AD) and 9.7 L/kg (BCF baseline model v02.09 (OASIS Catalogic v5.11.19): not considering mitigating factors ; substance within AD).

Based on the available measured data on the log Kow (log Kow = -0.35; BASF AG, 1988) and supported by a weight-of-evidence approach from calculated data, it can be concluded that accumulation in organisms is not to be expected.