Registration Dossier
Registration Dossier
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EC number: 204-832-7 | CAS number: 127-25-3
Endpoint summary
Administrative data
Description of key information
Bioaccumulation : Aquatic/sediment:
From BCFBAF Program (v3.00) model of EPI suite v.3.01 the estimated bio concentration factor (BCF) for methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate (CAS No: 127-25-3) is 13140 L/kg wet-wt which exceeds the bioconcentration threshold of 2000. Thus it is concluded that methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate is expected to bio accumulate in the aquatic environment.
Additional information
Bioaccumulation : Aquatic/sediment:
Various predicted data for the target compound methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate (CAS No: 127-25-3) were reviewed for the bioaccumulation end point which are summarized as below:
In the prediction done from BCFBAF Program (v3.00) model of EPI suite v.3.01 ( Estimation Program Interface, 2017) the bio concentration factor (BCF) for methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate (CAS No: 127-25-3)estimated was 13140 L/kg wet-wt which exceeds the bioconcentration threshold of 2000.
Another prediction done by using Bio-concentration Factor (v12.1.0.50374)moduleof ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) Bio-concentration Factor over the entire pH scale of the chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate (CAS no. 127 -25 -3) estimated to be 109675 dimensionless.
Next prediction done from Sci Finder database of ACS ( American Chemical Society, 2017), the bioconcentration factor (BCF) for target chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate( CAS no. 127 -25 -3) was estimated to be 296000 dimensionless at pH range 1 -10 at temperature 25 deg. C.
One more prediction done by using Chemspider-ACD/Phychem suite prediction model (2017) the BCF for target chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylated was estimated to be 55164 at pH 5.5 and 7.4 at temperature 25 deg.C.
On the basis of above results for target chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate (CAS No: 127-25-3) (from EPI suite, ACD labs, Sci Finder database and Chemspider database 2017) it can be concluded that the BCF value of test substance methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate ranges from 13140 to 296000 dimensionless which exceeds the bioconcentration threshold of 2000, indicating that the chemical methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate is expected to be bioaccumulative in the food chain.
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