Reaction products of 2-(chloromethyl)oxirane and glycerol

Bioaccumulation: aquatic / sediment

Description of key information

Calculation with BCFBAF v3.01 (EPIWIN software by US-EPA):
Bioconcentration Factor (BCF) = 3.16 L/kg (regression-based estimate)
BCF = 0.893 L/kg (Arnot-Gobas method)

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 1,2,3-propanetriol, glycidyl ethers was determined by the computer program BCFBAF v3.01 (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, which is based on the mechanistic first principles, the BCF results in a value of 0.893 L/kg wet-wt. The whole body primary biotransformation rate estimate for fish results in a half-life of 0.00257 days, whereby the bio half-life is normalized to 10 g fish at 15 °C. The rate constant (kM) for 10 g fish is 3.572/day. This is taken into account to predict the apparent metabolism half-life in fish of the test compound. With the Arnot-Gobas method it is possible to differentiate between three trophic levels. For the lower trophic level the BCF results in 0.941 L/kg wet-wt, for a mid trophic level the result is 0.932 L/kg wet-wt and for the higher trophic level 0.893 L/kg wet-wt. It can be concluded that bioaccumulation potential of the test substance in aquatic organisms is negligible.