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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Administrative data

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Description of key information

The BCF was calculated to be 120 L/kg (regression-based estimate) and 0.899 L/kg (Arnot-Gobas method), respectively. [with BCFBAF v3.01 (EPIWIN software by US-EPA)]

Key value for chemical safety assessment

BCF (aquatic species):
120 L/kg ww

Additional information

The prediction for the bioconcentration factor (BCF) of the substance tris(2 -ethylhexyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate was done by the computer program BCFBAF v3.01 (EPIWIN software) by US-EPA. Furthermore, the whole body primary biotransformation rate estimation for fish was calculated with the notation that the bio half-life normalised to 10 g fish at 15 °C. It is possible to predict the apparent metabolism half-life in fish for three different trophic levels (lower, mid and upper). Using the regression-based estimate (traditional method) a BCF of 120 L/kg wet-wt (LogBCF = 2.08) was calculated for tris(2 -ethylhexyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate (ATEHC). Using the Arnot-Gobas method, which is based on mechanistic first principles, an aquatic BCF of 0.899 L/kg wet- wt (upper trophic; LogBCF = -0.05) is the result. Both values have been calculated based on an estimated LogPOW of 9.96. Further, the whole body primary biotransformation rate estimate for fish results in a half-life of 0.0237 days, whereby the bio half-life is normalised to 10 g fish at 15 °C. The rate constant (kM) for 10 g fish is 25/day, whereby the predicted value exceeds theoretical whole body maximum value. This is taken into account to predict the apparent metabolism half-life in fish of the test substance. With the Arnot-Gobas method it is possible to differentiate between three trophic levels. For the lower trophic level the BCF results in 0.949 L/kg wet-wt, for a mid trophic level the result is 0.94 L/kg wet-wt and for the higher trophic level 0.899 L/kg wet-wt. Based on these calculated results, a low potential for bioconcentration is to be expected (according to CLP Regulation 1272/2008 substances with a BCF ≥ 500 have a potential for bioconcentration in aquatic organisms). Further, some more factors have been taken into account: In general, absorption of a chemical is possible, if the substance crosses biological membranes. This process requires a substance to be soluble, both in lipid and in water and is also dependent on its molecular weight (substances with molecular weights below 500 are favourable for absorption). With a molecular weight of 570.8 g/mol the potential to cross biological membranes is very low for tris(2-ethylhexyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate. The water solubility of the substance is very low [7.804E-07 mg/L (at 25 °C) by QSAR estimation (EPIWIN/WSKOWWIN v1.42 by US-EPA); < 0.05 mg/L at 20°C and pH7 in an experimental test], which also implies that absorption is presumed to be hindered. In conclusion tris(2-ethylhexyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate is expected to be poorly absorbed, considering its molecular weight and water solubility.