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EC number: 234-165-7 | CAS number: 10576-12-2
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic / sediment
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical (E)-(ethyl N-hydroxyethenecarboximidate) (CAS No. 10576 -12 -2). The bioconcentration factor (BCF) of (E)-(ethyl N-hydroxyethenecarboximidate) was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical (E)-(ethyl N-hydroxyethenecarboximidate) is not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic / sediment
Various predicted data for the target compound (E)-(ethyl N-hydroxyethenecarboximidate) (CAS No. 10576-12-2) were reviewed for the bioaccumulation end point which are summarized as below:
In aprediction done using the BCFBAF Program (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical (E)-(ethyl N-hydroxyethenecarboximidate) (CAS No. 10576 -12 -2). The bioconcentration factor (BCF) of (E)-(ethyl N-hydroxyethenecarboximidate) was estimated to be 3.162 L/kg whole body w.w (at 25 deg C).
In an another prediction done by using Bio-concentration Factor (v12.1.0.50374) moduleACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), theBCF of the test substance (4-methoxyphenyl)methyl formate (CAS no. 10576 -12 -2) was estimated to be 2.81, 2.79, 2.64 and 1.72 at pH range 1-11, 12, 13 and 14, respectively.
Bioconcentration Factor (BCF) of test chemical (E)-(ethyl N-hydroxyethenecarboximidate) was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance (E)-(ethyl N-hydroxyethenecarboximidate) was estimated to be 1.56 at both pH 5.5 and 7.4, respectively.
Another predicted data was estimated using SciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical (E)-(ethyl N-hydroxyethenecarboximidate) (CAS no. 10576 -12 -2).The bioconcentration factor (BCF) of (E)-(ethyl N-hydroxyethenecarboximidate) was estimated to be 2.28 (at 25 deg C).
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), the bioaccumulation i.e BCF for test substance (E)-(ethyl N-hydroxyethenecarboximidate) was estimated to be 5.49 dimensionless. The predicted BCF result based on the 5 OECD principles.
On the basis of above results for target chemical (E)-(ethyl N-hydroxyethenecarboximidate) (from EPI suite, ACD labs,ChemSpider and CompTox Chemistry Dashboard, 2017), it can be concluded that the BCF value of test substance (E)-(ethyl N-hydroxyethenecarboximidate) ranges from 1.56– 5.49 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical (E)-(ethyl N-hydroxyethenecarboximidate) is not expected to bioaccumulate in the food chain.
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