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Environmental fate & pathways

Endpoint summary

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Description of key information

Bioaccumulation: aquatic / sediment

BCFBAF model (v3.01) of Estimation Programs Interface (2018) prediction program was used to predict the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 44.63 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.

Additional information

Bioaccumulation: aquatic / sediment

Various predicted data of the test chemical were reviewed for the bioaccumulation end point which are summarized as below:

 

In a prediction done using theBCFBAF Program (v3.01) of Estimation Programs Interface (2018), the bioconcentration factor (BCF) of test chemical was estimated. The estimated bioconcentration factor (BCF) of test chemical was estimated to be 44.63 L/kg whole body w.w (at 25 deg C).

In an another prediction done by using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) over the entire pH scale (pH 0 - 14) of the test chemical was estimated to be 492 (log BCF = 2.7 ± 1.0).

 

Bioaccumulation test was conducted for estimating the bioconcentration factor (BCF) of test chemical (ChemSpider, 2017). The estimated bioconcentration factor (BCF) of test chemical was estimated to be 433.29 at pH 5.5 and 7.4, respectively.

 

Another predicted data was estimated using SciFinder database (American Chemical Society (ACS), 2017) in which the bioconcentration factor (BCF) of test chemical was predicted. The estimated bioconcentration factor (BCF) of test chemical was estimated to be 467 (at 25 deg C).

 

From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical)  the bioaccumulation i.e BCF for test chemical was estimated to be 5.05 dimensionless . The predicted BCF result based on the 5 OECD principles.

 

On the basis of above results for test chemical(from modelling databases,2017), it can be concluded that the BCF value of test chemicalranges from 5.05 – 492 which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.