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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Description of key information

Calculation with BCFBAF v3.01 (EPIWIN software by US-EPA):
Bioconcentration Factor (BCF): 10.8 L/kg (regression-based estimate); BCF: 10.7 L/kg (Arnot-Gobas method)
Japan HPV Challenge Program: BCF < 1.7 and < 18 using 100 µg/L and 10 µg/L test substance

Key value for chemical safety assessment

BCF (aquatic species):
10.8 L/kg ww

Additional information

The prediction for the bioconcentration factor (BCF) of the substance 4-phenylbutenone was done by the computer program BCFBAF v3.01 (EPIWIN software) by US-EPA (Chemservice S.A., 2011). No GLP criteria are applicable for the usage of this tool and the QSAR estimation is easily repeatable. 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 10.8 L/kg wet-wt was calculated. Using the Arnot-Gobas method, which is based on the mechanistic first order principles, the BCF results in a value of 10.7 L/kg wet-wt. The whole body primary biotransformation rate estimate for fish results in a half-life of 0.194 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 4-phenylbutenone. With the Arnot-Gobas method it is possible to differentiate between three trophic levels. For the lower trophic level the BCF results in 7.307 L/kg wet-wt, for a mid trophic level the result is 8.048 L/kg wet-wt and for the higher trophic level 10.71 L/kg wet-wt.

The peer-reviewed database Japan HPV Challenge Program (2010) reports about a bioaccumulation experiment with 4 -phenylbutenone in Cyprinus carpio conducted according to OECD Guideline 305C and with GLP compliance. Two different concentration areas were tested: 100 µg/L and 10 µg/L resulting in dimensionless BCF values of < 1.7 and < 18, respectively. At the end of the exposure time of 6 weeks the lipid content in the test organisms was 3.5 %. A range-finding study is reported conducted with Oryzias latipes, resulting in a LC50(48h) value of 9.80 mg/L.

As conclusion, the test substance has very low potential to bioaccumulate in aquatic biota.