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Bioaccumulation: aquatic / sediment

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 2,4-Pyridinedicarboxylic acid (CAS No. 499 -80 -9). The bioconcentration factor (BCF) of 2,4-Pyridinedicarboxylic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 2,4-Pyridinedicarboxylic acid is not expected to bioaccumulate in the food chain.

Additional information

Bioaccumulation: aquatic / sediment

Various predicted data for the target compound 2,4-Pyridinedicarboxylic acid(CAS No. 499-80-9) and supporting weight of evidence study for its structurally similar 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) was used to predict the bioconcentration factor (BCF) of test chemical 2,4-Pyridinedicarboxylic acid (CAS No. 499 -80 -9). The bioconcentration factor (BCF) of 2,4-Pyridinedicarboxylic acid 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) moduleACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), theBCFover the entire pH scale (pH 1 -14) of the test substance 2,4-Pyridinedicarboxylic acid (CAS no. 499 -80 -9) was estimated to be 1.

 

Bioconcentration Factor (BCF) of test chemical 2,4-Pyridinedicarboxylic acid was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance 2,4-Pyridinedicarboxylic acid was estimated to be 1 at both pH 5.5 and 7.4, respectively.

 

Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical2,4-Pyridinedicarboxylic acid (CAS No. 499 -80 -9).The bioconcentration factor (BCF) of 2,4-Pyridinedicarboxylic acid 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 2,4-Pyridinedicarboxylic acid was estimated to be 5.52 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 2,4-Pyridinedicarboxylic acid is non-bioaccumulative in nature.

 

In a supporting weight of evidence study from authoritative database (J-CHECK, 2017 and EnviChem, 2014) for the read across chemical 2,5-Pyridinedicarboxylic acid (CAS no. 100-26-5),bioaccumulation experiment was conducted on test organism Cyprinus carpiofor 6 weeks for evaluating the bioconcentration factor (BCF value) of 2,5-Pyridinedicarboxylic acid. Cyprinus carpio was used as a test organism for the study. Test chemical nominal conc. used for the study were2mg/land 0.2mg/l, respectively. Range finding study involve the TLm (48 hr) ˃ 1000 mg/l (w/v) on Rice fish (Oryzias latipes). Lipid content of the test organism Cyprinus carpio was determined to be4.1%. The bioconcentration factor (BCF value) of substance 2,5-Pyridinedicarboxylic acid on Cyprinus carpio was determined to be in the range of 0.3-0.9 L/Kg at a conc. of 2 mg/l and 2.9-8.6 L/Kg at a conc. of 0.2 mg/l, respectively.

 

For the read across chemical 2,3-Pyridinedicarboxylic acid (CAS no. 89-00-9),bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical 2,3-Pyridinedicarboxylic acid (HSDB, 2017). The bioaccumulation factor (BCF) value was calculated using a water solubility of 11000 mg/l and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of 2,3-Pyridinedicarboxylic acid in fish was determined to be 3 dimensionless.

 

On the basis of above results for target chemical2,4-Pyridinedicarboxylic acid(from EPI suite, ACD labs,ChemSpider and CompTox Chemistry Dashboard,  2017) and for its read across substance from authoritative database (HSDB, J-CHECK and EnviChem), it can be concluded that the BCF value of test substance2,4-Pyridinedicarboxylic acidranges from 1 – 5.52 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical2,4-Pyridinedicarboxylic acidis not expected to bioaccumulate in the food chain.