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EC number: 203-014-7 | CAS number: 102-22-7
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: Aquatic/Sediments:
Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for target chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate (CAS No. 102-22-7) is 5581 L/kg wet-wt at 25 deg. c which exceeds the bioconcentration threshold of 2000. Therefore it is concluded that test chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate is bioaccumulative in food chain.
Additional information
Bioaccumulation: Aquatic/Sediments:
Predicted data from four different sources for the target compound (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate (CAS No.102-22-7) were reviewed for the bioaccumulation end point which are summarized as below:
In a prediction done by using BCFBAF Program (v3.00) model of EPI suite (Estimation Program Interface, 2017) the estimated bio concentration factor (BCF) for (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate (CAS No. 102-22-7) is 5581 L/kg wet-wt at 25 deg. c
Another prediction done by using Bio-concentration Factor (v12.1.0.50374) module of Advanced Chemistry Development/I- lab predictive module Bio-concentration Factor at range pH 1-14 of the chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate (CAS no.102 -22 -7) estimated to be 18423 dimensionless.
Next prediction done by using Scifinder database of American Chemical Society (ACS, 2017) the Bioconcentration factor (BCF) for test chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate (CAS No: 102-22-7) was predicted in aquatic organisms at pH 1-10 and temperature 25 °C .The bioconcentration factor (BCF) of test substance (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate at pH 1-10 and temperature 25 °C was estimated to be 8530 dimensionless.
One more prediction done by using Chemspider- ACD/PhysChem Suite of Royal Society of Chemistry, 2017 the Bioconcentration factor (BCF) for test chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate (CAS No: 102-22-7) was predicted in aquatic organisms at pH 5.5 and pH 7.4.The Bioconcentration factor (BCF) of test substance (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate at pH 5.5 and pH 7.4 was estimated to be 8494.87 dimensionless.
On the basis of above results for target chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate (CAS no.102-22-7)) (from EPI suite, ACD lab, Scifinder and Chemspider, 2017), it can be concluded that the BCF value of test substance (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate ranges from 5581 to 18423 dimensionless which exceeds the bioconcentration threshold of 2000, indicating that the chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate is expected to be bioaccumulative in the food chain.
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