Registration Dossier
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EC number: 201-662-5 | CAS number: 86-29-3
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic / sediment
BCFBAF model of Estimation Programs Interface was used to predict the bioconcentration factor (BCF) of test chemical (2018). The bioconcentration factor (BCF) of test chemical was estimated to be 59.72 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic / sediment
Various predicted data of the test chemical and experimental studies of the read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In a prediction done using the BCFBAF Program of Estimation Programs Interface was used to predict the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 59.72 L/kg whole body w.w (at 25 deg C).
In an another prediction done by using Bio-concentration Factor module (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017)), the bio-concentration Factor of the test chemical was estimated to be 189 at pH range 1-14, respectively.
Bioconcentration Factor (BCF) of test chemical was estimated using Chemspider database (modelling database, 2017). The bioconcentration factor of test chemical was estimated to be 202.84 at pH both 5.5 and 7.4, respectively.
Another predicted data was estimated using SciFinder database (American Chemical Society (ACS), 2017) for predicting the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 48 at pH range 1-10 respectively (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 206 dimensionless . The predicted BCF result based on the 5 OECD principles.
In a supporting weight of evidence study from authoritative database (2019) and secondary source (2014), bioaccumulation study was conducted on test organism Cyprinus carpio for 8 weeks for evaluating the bioconcentration factor (BCF value) of test chemical.The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively. Cyprinus carpio was used as a test organism for the study. Test chemical was prepared in HCO-40.Test chemical nominal conc. used for the study was 0.1mg/l and 0.01 mg/l, respectively. Analytical method involve the recovery ratio:Test water: 1st concentration area: 92.2 %, 2nd concentration area : 89.5 %, Fish : 88.7 %, - Limit of detection : Fish : 0.056 ppm.Range finding study involve theTLm(48h) 2.76 ppm (w/v) on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of test chemical on Cyprinus carpio was determined to be in the range 452 to 1150 L/Kg at a conc. of 0.1 mg/l and 536 to 1190 L/Kg at a conc. of 0.01 mg/l, respectively.
For the test chemical, bioaccumulation study was conducted on test organism Cyprinus carpio for 8 weeks for evaluating the bioconcentration factor (BCF value) of test chemical (J-CHECK, 2019). The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively. Cyprinus carpio was used as a test organism for the study. Test chemical was prepared in HCO-40.Test chemical nominal conc. used for the study was 0.2mg/l and 0.02 mg/l, respectively. Analytical method involve the recovery ratio: Test water: 1st concentration area: 87.5 %, 2nd concentration area : 95.0 %, Fish : 78.9 %, - Limit of detection : Fish : 0.23 ppm. Range finding study involve the TLm(48h) 18 ppm (w/v) on Rice fish (Oryzias latipes). The bioconcentration factor (BCF value) of test chemical on Cyprinus carpio was determined to be in the range between 171 to 429 L/Kg at a conc. of 0.2 mg/l and 187 to 345 L/Kg at a conc. of 0.02 mg/l, respectively.
On the basis of above results of the test chemical, it can be concluded that the BCF value of test chemical was evaluated to beupto 1190, respectively,which does not exceed the bioconcentration threshold of 2000, indicating that the test chemicalis not expected to bioaccumulate in the food chain.
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