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EC number: 202-261-8 | CAS number: 93-60-7
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic / sediment
From BCFBAF (v3.00) model of EPI suite and PBT profiler the estimated bio concentration factor (BCF) for Methyl nicotinate is 3.2 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that Methyl nicotinate is not expected to bio accumulate in the aquatic environment.
Additional information
Bioaccumulation: aquatic / sediment
Four studies including predicted data from validated models and experimental data from authorative database for bioaccumulation (BCF) endpoint of target chemical Methyl nicotinate (Cas no. 93-60-7) with relevant read across which is structurally similar to target were summarized as follows:
First prediction done using BCFBAF (v3.00) model and PBT profiler indicate the estimated bio concentration factor (BCF) for Methyl nicotinate is 3.2 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that Methyl nicotinate is not expected to bio accumulate in the aquatic environment.
Above prediction is supported by data from Scifinder database which suggest the Bioconcentration factor (BCF) for target chemical Methyl nicotinate was predicted to be 1.0 at pH range 1-3, 2.03 at pH 4, 2.31 at pH 5 and 2.35 at pH range 6-10 and temperature 25 deg.C.Based on the BCF concentration at all range of pH it is concluded that the test chemical Methyl nicotinate is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
Chemspider - ACD/PhysChem Suite prediction model indicate the Bioconcentration factor (BCF) for target chemical Methyl nicotinate to be 2.55-2.56 at pH 5.5 and 7.4 at temperature 25 deg.C. Based on the BCF concentration at two different pH concluded that the test chemical Methyl nicotinate is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
Above all results for target are further supported by experimental data of read across chemical nicotinic acid (Cas no. 59-67-6) wherein an estimated BCF value of 3 was calculated in fish for nicotinic acid, using a log Kow of 0.36 and a recommended regression derived equation. This BCF value suggests that the potential for bioconcentration in aquatic organisms (fish) is low. (HSDB database by US EPA; 2017)
Thus based on all available studies for bioaccumulation endpoint concluded that the test substance Methyl nicotinate (Cas no. 93-60-7) is expected to be non Bioaccumulative in aquatic environment.
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