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EC number: 224-069-3 | CAS number: 4191-73-5
Endpoint summary
Administrative data
Description of key information
From BCFBAF (v3.00) model of EPI suite Program, the estimated bio concentration factor (BCF) for Isopropyl 4-hydroxybenzoate is 38.37 L/kg whole body w.w which does not exceed the bio concentration threshold of 2000. Thus it is concluded that Isopropyl 4-hydroxybenzoate is not expected to bioaccumulate in the food chain.
Additional information
Four different predicted results from validated models for bioaccumulation (BCF) endpoint of target chemical Isopropyl 4-hydroxybenzoate (Cas no. 4191-73-5) were summarized as follows:
First prediction done using BCFBAF (v3.00) model indicate the estimated bio concentration factor (BCF) for Isopropyl 4-hydroxybenzoate is 38.37 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.
Another validated prediction by ACD (Advanced Chemistry Development)/I-Lab; Algorithm Version: v5.0.0.184 using Bio-concentration Factor (v12.1.0.50374) module; 2017 indicate the bio-concentration Factor over the entire pH scale 1-14 of the test substance Isopropyl 4-hydroxybenzoate estimated to be in the range 1 to 71.6 (dimentionless).
Further, an estimation 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) indicate the bioaccumulation i.e BCF for test substance Isopropyl 4-hydroxybenzoate to be 32.0 dimensionless. The predicted BCF result based on the 5 OECD principles.
Last study from Scifinder database indicate the Bioconcentration factor (BCF) for target chemical Isopropyl 4-hydroxybenzoate was predicted to be 1.80-71.8 at pH range 1-10 and temperature 25 deg.C.
Thus based on the above information for bioaccumulation endpoint, it can be concluded that the BCF of the test substance Isopropyl 4-hydroxybenzoate (Cas no. 4191-73-5) is expected to be in the range 1 - 71.8. This value indicates that the substance is likely to be non Bioaccumulative in aquatic environment as the BCF does not exceed the threshold of 2000.
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