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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Description of key information

A significant accumulation in organisms is not expected.

Key value for chemical safety assessment

BCF (aquatic species):
14.09 dimensionless

Additional information

No experimental data on the bioaccumulation behavior of the test substance are currently available. This multiconstituent substance consists of components with log Pow values up to 3.5 (BASF SE 11L00418 (2012). Log Pow values in that magnitude signalize that an accumulation in organisms cannot be excluded. Hence, the bioaccumulation potential of the test compound was investigated using three scientifically acceptable calculation models:

A calculation using CATALOGIC v.5.11.2, BCF base-line model v2.05 was conducted with a representative molecule structure in order to estimate the bioaccumulation potential of the test substance (BASF SE 2012). This model calculates the BCF implicating the measured log Kow value and the water solubility of the test substance. Furthermore, the influence of mitigating factors like ionization of the molecule, water solubility, size and metabolism are also considered by the model. Taking into account these mitigating factors the BCF is reduced to approx. 5, mainly due to metabolism and water solubility.

In a second calculation the calculation model T.E.S.T., provided by the US EPA, was applied (v4.1). This model predicts a bioaccumulation factor of 5.20 (log BAF of 0.72) for the test compound.

For the third calculation the BCFBAF v.3.01 of EPISuite v4.10 was used. The calculation revealed a BCF value of 14.09.

Furthermore, the test compound belongs to a category of substances consisting of similar composition. Starting substance for all group members is Propylidynetrimethanol which is ethoxylated and/or propoxylated to different magnitudes and gets modified with an amine compound in one case. For all identified group members BCF values clearly lower than 100 were determined with the calculation models mentioned above.

Based on these data, the test compound and its major components are not considered to significantly accumulate in organisms.