Registration Dossier
Registration Dossier
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EC number: 214-494-2 | CAS number: 1135-66-6
Endpoint summary
Administrative data
Description of key information
Hydrolysis
In accordance with column 2 of Annex VIII of the REACH regulation, testing for this endpoint is scientifically not necessary and does not need to be conducted since the test chemical is readily biodegradable in water.
Biodegradation in water
On the basis of the experimental studies of the test chemical and applying the weight of evidence approach, the percentage degradation of the test chemical can be expected to be 74, 83, 94 and 100% by O2 consumption, test material analysis, BOD and GC parameter in total 28 days, respectively. Thus, based on this, it can be concluded that the test chemical is readily biodegradable in water.
Bioaccumulation: aquatic / sediment
BCFBAF model of Estimation Programs Interface (2018) was used to predict the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 3019 L/kg whole body w.w (at 25 deg C) which exceeds the bio concentration threshold of 2000, indicating that the test chemical is expected to bioaccumulate in the food chain.
Adsorption / desorption
KOCWIN model of Estimation Programs Interface (2018) was used to predict the soil adsorption coefficient i.e Koc value of test chemical. The soil adsorption coefficient i.e Koc value of test chemical was estimated to be 15760 L/kg (log Koc=4.1975) by means of MCI method (at 25 deg C). This Koc value indicates that the test chemical has a strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.
Additional information
Hydrolysis
In accordance with column 2 of Annex VIII of the REACH regulation, testing for this endpoint is scientifically not necessary and does not need to be conducted since the test chemical is readily biodegradable in water.
Biodegradation in water
Data available for the test chemical has been reviewed to determine the percentage biodegradation. The studies are as mentioned below:
The percentage degradation of test chemical was determined to be 74% by O2 consumption parameter in 28 days. Thus, based on percentage degradation, test chemical is considered to be readily biodegradable in water.
In an another study, biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of test chemical. The study was performed according to Council Directive 92/69/EEC Method C.4-D guidelines. Initial test substance conc. used in the study was 100 mg/l. The percentage degradation of test chemical was determined to be 59, 67, 75 and 83% by Test material analysis parameter in 10, 14, 20 and 28 days, respectively. Thus, based on percentage degradation,test chemical is considered to be readily biodegradable in nature.
Another biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of test chemical. The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I) under aerobic conditions. Activated sludge was used as a test inoculums for the study. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of test chemical was determined to be 94% and 100% by BOD and GC parameter in 28 days. Thus, based on percentage degradation, test chemical is considered to be readily biodegradable in nature.
On the basis of the experimental studies of the test chemical and applying the weight of evidence approach, the percentage degradation of the test chemical can be expected to be 74, 83, 94 and 100% by O2 consumption, test material analysis, BOD and GC parameter in total 28 days, respectively. Thus, based on this, it can be concluded that the test chemical is readily biodegradable in water.
Bioaccumulation: aquatic / sediment
BCFBAF model of Estimation Programs Interface (2018) was used to predict the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 3019 L/kg whole body w.w (at 25 deg C) which exceeds the bio concentration threshold of 2000, indicating that the test chemical is expected to bioaccumulate in the food chain.
Adsorption / desorption
Various predicted data of the test chemical were reviewed for the adsorption end point which are summarized as below:
In a prediction done using the KOCWIN Programof Estimation Programs Interface was used to predict the soil adsorption coefficient i.e Koc value of test chemical. The soil adsorption coefficient i.e Koc value of test chemical was estimated to be 15760 L/kg (log Koc=4.1975) by means of MCI method (at 25 deg C). This Koc value indicates that the test chemical has a strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.
The Soil Adsorption Coefficient i.e Koc value of test chemical was estimated using Adsorption Coefficient module program as Koc 69004 (logKoc = 4.8 ± 1.0) at pH range 1-14, respectively (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017)). The logKoc value indicates that the test chemical has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
In an another prediction done by using ChemSpider Database (2017), the Soil Adsorption Coefficient i.e Koc value of test chemical was estimated. The adsorption coefficient (Koc) value of test chemical was estimated to be 38442.59 (Log Koc = 4.5848) at both pH 5.5 and 7.4, respectively. This Koc value indicates that the test chemical has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
Additional soil adsorption coefficient i.e Koc value of test chemicalwas estimated using the SciFinder database (2017).The soil adsorption coefficient i.e Koc value of test chemical was estimated to be 52800 (logKoc = 4.7226) at pH range 1-10, respectively (at 25 deg C). This Koc value indicates that the test chemical has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
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 adsorption coefficient i.e KOC for test chemical was estimated to be 15700 L/kg (log Koc = 4.1958).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the test chemical has a strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.
On the basis of above overall results for test chemical, it can be concluded that the log Koc value of test chemical was estimated to be ranges from 4.1975 to 4.8 ± 1.0, respectively, indicating that the test chemical has a strong to very strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.
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