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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Description of key information

Calculation with BCFBAFWIN v3.00 (EPIWIN software by US-EPA), Bioconcentration Factor (BCF): 7065 (regression-based estimate) 

Key value for chemical safety assessment

BCF (aquatic species):
7 065 L/kg ww

Additional information

The prediction for the bioconcentration factor (BCF) of the substance 2,4,6 -triisopropyl-m-phenylene diisocyanate was determined by the computer program BCFBAFWIN v3.00 (EPIWIN software) by US-EPA (Chemservice S.A., 2011). Furthermore the whole body primary biotransformation rate estimation for fish was calculated with the notation that the bio half-life normalized 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 7065 L/kg wet-wt was calculated. Using the Arnot-Gobas method, which is based on the mechanistic first principles, the BCF results in a value of 5970 L/kg wet-wt. The whole body primary biotransformation rate estimate for fish gives a half-life of 3.214 days, whereby the rate constant (kM) for 10 g fish is designated as 0.2157/day. This is taken into account to predict the apparent metabolism half-life in fish for the substance. For the lower trophic level a BCF of 232.2 L/kg wet-wt is calculated, whereas for the mid trophic level the BCF will result in 210.5 L/kg wet-wt and the higher trophic level gives a value of 152.8 L/kg wet-wt. No GLP criteria are applicable for the usage of this tool, but due to the fact that it is a scientifically accepted calculation method the estimations performed are reliable with restrictions and can be used for the chemical safety assessment.