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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) prediction program was used to predict the bioconcentration factor (BCF) of test chemical 1,3-thiazolidine-2,4-dione (CAS No. 2295 -31 -0). The bioconcentration factor (BCF) of 1,3-thiazolidine-2,4-dione 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-thiazolidine-2,4-dione

is not expected to bioaccumulate in the food chain.

Additional information

Bioaccumulation: aquatic/sediment

Various predicted data for the target compound1,3-thiazolidine-2,4-dione(CAS No. 2295-31-0) and the experimental study for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

In aprediction done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2017), the bioconcentration factor (BCF) of test chemical 1,3-thiazolidine-2,4-dione (CAS No. 2295 -31 -0) was estimated. The bioconcentration factor (BCF) of 1,3-thiazolidine-2,4-dione 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-thiazolidine-2,4-dione (CAS no. 2295 -31 -0) was estimated to be 1.

 

Bioaccumulation test was conducted for estimating the bioconcentration factor (BCF) of test chemical 1,3-thiazolidine-2,4-dione (CAS no. 2295 -31 -0)(ChemSpider, 2017).The estimated bioconcentration factor (BCF) of 1,3-thiazolidine-2,4-dione was estimated to be 1.00 at pH 5.5 and 7.4, respectively.

 

Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) in which the bioconcentration factor (BCF) of test chemical 1,3 -thiazolidine-2,4 -dione (CAS No. 295 -31 -0) was predicted. The estimated bioconcentration factor (BCF) of 1,3-thiazolidine-2,4-dione 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-thiazolidine-2,4-dione was estimated to be 1.47 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-thiazolidine-2,4-dione is non-bioaccumulative in nature.

 

In a supporting weight of evidence study from authoritative database (J-CHECK, 2017) for the read across chemical 1,2-dihydropyridazine-3,6-dione (CAS no. 123-33-1), bioaccumulation test was conducted for 6 weeks for determination the bioconcentration factor (BCF) of read across chemical 1,2-dihydropyridazine-3,6-dioneon test organism Cyprinus carpio. Recovery ratio : Fish : 97.6 %, ­ Limit of quantitation : Test water : 1st concentration area : 0.040 mg/L, 2nd concentration area : 0.0040 mg/L, Fish : 0.40 microg/g. And nominal concentrations used in the study as - 1st Concentration area: 2 mg/L, 2nd Concentration area : 0.2 mg/L and Range finding study was carried out on Rice fish (Oryzias latipes) and the 48 hr LC 50 was 1000mg/L. Thus according to this Test the BCF value for read across substance1,2-dihydropyridazine-3,6-dione obtained was ≤0.2 L/kg at dose concentration 2 mg/L) and ≤ 2 L/kg at dose concentration 0.2 mg/L) on test organism Cyprinus carpio during 6 weeks period. These BCF values are far less than 2000 and indicate that the substance1,2-dihydropyridazine-3,6-dione is not bioaccumulative in fish and food chain.

 

On the basis of above results for target chemical1,3-thiazolidine-2,4-dione(from EPI suite, ACD labs,ChemSpider, SciFinder database and CompTox Chemistry Dashboard,  2017) and for its read across substance (from authoritative database J-CHECK, 2017), it can be concluded that the BCF value of test substance1,3-thiazolidine-2,4-dione 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.