Registration Dossier
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EC number: 203-998-8 | CAS number: 112-70-9
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic / sediment
The bioaccumulation study in fishwas conducted for estimating the BCF (bioaccumulation factor) value of test chemical (HSDB and PubChem, 2017). The bioaccumulation factor (BCF) value was calculated using a log Kow of 5.82 and a regression-derived equation. The estimated BCF (bioaccumulation factor) valueof test chemical was determined to be 600 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is considered to be non-accumulative in aquatic organisms.
Additional information
Bioaccumulation: aquatic / sediment
Various experimental studies and predicted data of the test chemical were reviewed for the bioaccumulation end point which are summarized as below:
In an experimental key study from authoritative database (HSDB and PubChem, 2017) for the test chemical, bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a log Kow of 5.82 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 600 dimensionless.
Another bioaccumulation study in aquatic organisms was conducted for estimating the BCF (bioaccumulation factor) value of test chemical (OECD SIDS, 2006). The bioaccumulation factor (BCF) value was calculated using a log Kow of 5.51 and SRC BCFWIN program. The estimated BCF (bioaccumulation factor) value of test chemical was evaluated to be 349 dimensionless.
In a prediction done using the BCFBAF Program (v3.01) of Estimation Programs Interface (EPI Suite, 2018) was used to predict the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 58.06 L/kg whole body w.w (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 chemical was estimated to be 1520 dimensionless. The predicted BCF result based on the 5 OECD principles.
In a supporting study from peer reviewed journal (D. Freitag et. al; 1982) and authoritative database (HSDB and PubChem, 2017) for the test chemical, bioaccumulation experiment in Leuciscus idus melanotus (golden orfe fish) was carried out for 3 days for determining the environmental bioconcentration factor (BCF) value of test chemical. Test chemical was radiolabelled at a position U-14Cand has a specific activity of4.6 mCi/mmol. Five golden orfes (Leuciscus idus melanotus), 5-6 cm long, about 1.5 g in weight, in 10 liters water (5 liters tap water of 160- 170 mg CaO/liter hardness + 5 liters deionized water) was used as a test organism for the study. The study was performedunder static conditions at a temperature of 20-25⁰C, respectively. Test organism was not feed or aerated during the tests. Flask of 12.5 liters was used as a test vessel for the study. Test chemical concentration used for the study was 0.05 mg/l, respectively. Chemical concentration in the water was determined by taking daily samples and replenishing appropriately if necessary. After 3 days of the study, the bioaccumulation factor was calculated. The BCF (bioaccumulation factor) of test chemical in Leuciscus idus melanotus (golden orfe fish) after 3 days was determined to be 56 dimensionless.
For the test chemical,bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical (authoritative database, 2017). The bioaccumulation factor (BCF) value was calculated using a log Kow of 5.13 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 48 dimensionless.
In a supporting study for the test chemical from authoritative database (HSDB, 2017),bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a log Kow of 4.57 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 20 dimensionless.
On the basis of above results for test chemical, it can be concluded that the BCF value of test chemicalupto1520,which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.
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