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EC number: 202-334-4 | CAS number: 94-46-2
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic / sediment
From BCFBAF (v3.00) model of EPI suite Program, the estimated bio concentration factor (BCF) for 3-methylbutyl benzoate is 254.2 L/kg whole body w.w which does not exceed the bio concentration threshold of 2000. Thus it is concluded that 3-methylbutyl benzoate is not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic / sediment
Five results including different predicted data from validated models and experimental data from authorative database for bioaccumulation (BCF) endpoint of target chemical 3-methylbutyl benzoate (Cas no. 94-46-2) were summarized as follows:
First prediction done using BCFBAF (v3.00) model indicate the estimated bio concentration factor (BCF) for 3-methylbutyl benzoate is 254.2 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that 3-methylbutyl benzoate is not expected to bio accumulate in the aquatic environment.
Other predicted database PBT profiler indicate the Bioaccumulation factor (BCF) for test substance 3-methylbutyl benzoate was estimated to be 250 L/kg wet-wt at 25 deg.C.
Data from Scifinder database suggest the Bioconcentration factor (BCF) for target chemical 3-methylbutyl benzoate was predicted to be 653 at pH range 1-10 and temperature 25 deg.C
Whereas Chemspider - ACD/PhysChem Suite estimates the Bioconcentration factor (BCF) for target chemical 3-methylbutyl benzoate as 739.05 at pH 5.5 and 7.4 at temperature 25 deg.C.
All above predicted results of target supported by experimental data of read across chemical Butyl benzoate (Cas no. 94-46-2) which suggest an estimated BCF value of 62 was calculated in fish for butyl benzoate, using recommended regression-derived equation and water solubility of 59 mg/L. This BCF value suggests that bioconcentration in aquatic organisms is not important.
Thus based on the above information for bioaccumulation endpoint, it can be concluded that the test substance 3-methylbutyl benzoate (Cas no. 94-46-2) is expected to be non Bioaccumulative in aquatic environment.
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