Registration Dossier

Environmental fate & pathways

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 technically not feasible and does not need to be conducted since the test chemical is insoluble in water.

Biodegradation in water

Estimation Programs Interface Suite (2018) was run to predict the biodegradation potential of the test chemical in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that test chemical is expected to be not readily biodegradable.

Adsorption / desorption

KOCWIN model of 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 108000 L/kg (log Koc= 5.0333)by means of MCI method (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.

Additional information

Hydrolysis

In accordance with column 2 of Annex VIII of the REACH regulation, testing for this endpoint is technically not feasible and does not need to be conducted since the test chemical is insoluble in water.

Biodegradation in water

Predicted data of the test chemical and various supporting studies for its structurally similar read across substance were reviewed for the biodegradation end point which are summarized as below:

 

In a prediction done using Estimation Programs Interface Suite (2018), the biodegradation potential of the test chemical in the presence of mixed populations of environmental microorganisms was predicted. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that test chemical is expected to be not readily biodegradable.

 

In a supporting weight study from authoritative database (J-CHECK, 2010), biodegradation experiment was conducted for 14 days for evaluating the percentage biodegradability of test chemical. Concentration of inoculum i.e, sludge is 30 mg/l and initial test substance conc. used in the study is 100 mg/l. The percentage degradation of test chemical was determined to be 5.4% by in 14 days. On the basis of percent biodegradability value it is concluded that the test chemical is not readily biodegradable in water.

 

For the test chemical, biodegradation study was conducted by taking activated sludge as inoculums at 30 mg/L concentration. Biodegradation was analysed by using BOD parameter .The initial concentration of test chemical used was 100 mg/L. The test chemical showed 0 % biodegradability by BOD parameter by using activated sludge as inoculum in 14 days. On the basis of percent biodegradability it is concluded that test chemical is not readily biodegradable.

 

On the basis of above overall results of test chemical, it can be concluded that the test chemical can be considered to be not readily biodegradable in nature.

Adsorption / desorption

Various predicted data of the test chemical and various supporting studies for its structurally similar read across substance were reviewed for the adsorption end point which are summarized as below:

 

In aprediction done using theKOCWIN 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 108000 L/kg (log Koc= 5.0333) by means of MCI method (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.

 

The Soil Adsorption Coefficient i.e Koc value of test chemical was estimated using Adsorption Coefficient module program as Koc 130164, 376479, 456237, 466028, 467029, 467129, 467138, 467133, 467069, 466430, 460126, 405070, 178845, 18490 and 496 at pH range 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13 and 14, respectively (logKoc value ranges from 2.7 ± 1.0 to 5.7 ± 1.0) (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017)).. The logKoc value (logKoc = 5.7 ± 1.0 at pH 7.0) 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 12281.00 (Log Koc = 4.089) at pH 5.5 and 11578.73 (logKoc = 4.063) 7.4, respectively. 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 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 80200, 96800, 98800, 99000, 99100, 99000, 98600, 94900 at pH range 1, 2, 3, 4, 5-7, 8, 9 and 10, respectively (logKoc value ranges from 4.904 to 4.996) (at 25 deg C). This 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.

 

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 14500 L/kg (log Koc = 5.161).The predicted KOC result based on the 5 OECD principles. 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.

 

In a supporting weight of evidence study from authoritative database (2017) for the test chemical,adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of test chemical. The adsorption coefficient (Koc) value was calculated using a structure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of test chemical was estimated to be 230000 (Log Koc = 5.361). 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.

 

For the test chemical, adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical (HSDB, 2017). The adsorption coefficient (Koc) value was calculated using a structure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of test chemical was estimated to be 130000 (Log Koc = 5.113). 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.

 

On the basis of above overall results for test chemical, it can be concluded that the log Koc value (at pH 7.0) of test chemical was estimated to be ranges from 4.063 to 5.7 ± 1.0, respectively, indicating that the test chemicalhas a strong to very strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.