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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): 3.16 (regression-based estimate) 

Key value for chemical safety assessment

BCF (aquatic species):
3.16 L/kg ww

Additional information

The prediction for the bioconcentration factor (BCF) of the substance 1-Propanesulfonic acid, 3-mercapto-, monosodium salt (MPS) was determined by the computer program BCFBAFWIN v3.00 (EPIWIN software) of 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 3.16 L/kg wet-wt was calculated. Using the Arnot-Gobas method, based on the mechanistic first principles, the BCF results in a value of 0.90 L/kg wet-wt. The whole body primary biotransformation rate estimate for fish gives a half-life of 0.004869 days, whereby the rate constant (kM) for 10 g fish is designed as 125/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 0.9410 L/kg wet-wt is calculated, whereas for the mid trophic level the BCF will result in 0.9323 L/kg wet-wt and the higher trophic level gives a value of 0.8937 L/kg wet-wt. For this chemical it is important to not that the program removes metal compounds (Na, K, Li) for its calculation procedure. 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.