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Environmental fate & pathways

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Bioaccumulation: aquatic/sediment

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) program was used to predict the bioconcentration factor (BCF) of test chemical 1-(3-aminophenyl)urea (CAS No. 25711 -72 -2). The bioconcentration factor (BCF) of 1-(3-aminophenyl)urea was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 1-(3-aminophenyl)urea is not expected to bioaccumulate in the food chain.

Additional information

Bioaccumulation: aquatic/sediment

Various predicted data for the target compound 1-(3-aminophenyl)urea (CAS No. 25711-72-2) were reviewed for the bioaccumulation end point which are summarized as below:

 

In a prediction done using the BCFBAF Program (v3.01) of Estimation Programs Interface (EPI Suite, 2017), the bioconcentration factor (BCF) of test chemical 1-(3-aminophenyl)urea (CAS No. 25711 -72 -2) was estimated to be 3.162 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 (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), the BCF over the entire pH scale (pH 0 - 14) of the test substance 1-(3-aminophenyl)urea (CAS no. 25711 -72 -2) was estimated to be 1.

 

Bioaccumulation test was conducted for estimating the bioconcentration factor (BCF) of test chemical 1-(3-aminophenyl)urea (CAS no. 25711 -72 -2) (ChemSpider, 2017). The bioconcentration factor (BCF) of 1-(3-aminophenyl)urea was estimated to be 1.00 at pH 5.5 and 7.4, respectively.

 

Another prediction was done using SciFinder database (American Chemical Society (ACS), 2017) for the bioconcentration factor (BCF) of test chemical 1-(3-aminophenyl) urea (CAS No. 25711 -72 -2). The bioconcentration factor (BCF) of 1-(3-aminophenyl)urea was estimated to be 1 (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 substance 1-(3-aminophenyl)urea was estimated to be 1.71 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 1-(3-aminophenyl)urea is non-bioaccumulative in nature.

 

On the basis of above results for target chemical1-(3-aminophenyl)urea(from EPI suite, ACD labs,ChemSpider, SciFinder database and CompTox Chemistry Dashboard,  2017), it can be concluded that the BCF value of test substance1-(3-aminophenyl)urea ranges from 1 – 3.162 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 1-(3-aminophenyl)urea is not expected to bioaccumulate in the food chain.