Ethylamine

Bioaccumulation: aquatic / sediment

Description of key information

 Significant accumulation in organisms is not to be expected

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 modified ethylamine (CAS 75-04-7) (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 has a measured logKow of -0.13 (@ pH 13, Kurihara N. et. al., Pest. Biochem. and Physiol. 2, 1973)

 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 [L/kg]	In AD	Restraints
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation	0.96	No	- the substance ionizes at physiologically relevant pH - the Log Kow of the substance is not within the range
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation of zero	0.97	No	- the substance ionizes at physiologically relevant pH - the Log Kow of the substance is not within the range
US EPA T.E.S.T. v4.2.1: Bioaccumulation: Consensus method	1.2	Yes	Based on the mean absolute errors of the models the confidence in the predicted results is high
CAESAR v2.1.14 (VEGA v1.1.3)	2	No	- only moderately similar compounds with known experimental value in the training set have been found - 1 descriptor(s) for this compound have values outside the descriptor range of the compounds of the training set.
BCF KNN/Read-Across v1.1.0 (VEGA v1.1.3)	2	No	- only moderately similar compounds with known experimental value in the training set have been found
Meylan v1.0.3 (VEGA v1.1.3)	3	No	- only moderately similar compounds with known experimental value in the training set have been found - Molecular Weight of this compound is outside the defined range [68.08,959.17]
BCF baseline model v.03.10 (OASIS Catalogic v5.13.1): incl. mitigating factors	3.1	No	With regard to the structural domain, the test substance is not within the applicability domain of the model.
BCFBAF v3.01 (EPI Suite v4.11): Meylan et al. (1997/1999)	3.2	No	The molecular weight of the substance is not within the range of test data set
BCF baseline model v.03.10 (OASIS Catalogic v5.13.1): not considering mitigating factors	10	No	With regard to the structural domain, the test substance is not within the applicability domain of the model.

Considering all models applied the estimated BCF values range from 0.96 to 10 L/kg.

The maximum BCF of 10 was calculated by the BCF baseline model v.02.09 (OASIS Catalogic v5.11.19) without considering any mitigating factors. However, considering mitigating factors like metabolism, molecular size and the water solubility, the model calculated a BCF of 3.1, with metabolism having the highest mitigating effect on the bioaccumulation potential, followed by water solubility and, to a minor extent, molecular size. The test substance meets the structural domain requirements only of the US EPA T.E.S.T BCF estimation model.

Additional data are also available on the bioaccumulation of ethylamine in algae (Cyclotella cryptica) performed by Wheeler & Hellebust in 1981. An exposure of algae for 24 hours to 10 µM ethylamine resulted in an accumulation factor ranging from 702 - 1039 (L/kg).

Based on the available measured log Kow value, estimated data on the bioaccumulation potential of the substance along with the additional experimental data, it can be concluded that significant bioaccumulation in organisms is not to be expected.