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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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 scientifically not necessary and does not need to be conducted since the test chemical is readily biodegradable in water.

Biodegradation in water

Biodegradation study was conducted for 28 days following the principles of the OECD guideline 301 D for determining the ready biodegradability of the test chemical (Experimental study report, 2018). The study was performed at a temperature of 20°C under aerobic conditions. Aerobic conditions was provided by means of mineral media which is aerated for 20 hours prior to start of the experiment. The test system included control, test chemical and reference substance. Polyseed capsule (mixed culture) was used as a test inoculum for the study. Test inoculum polyseed capsule was composed of blend of specialized microbial cultures and food grade gelatin made by International Laboratory Supply (InterLab), LTD. No pretreatment / preconditioning was given to the test inoculum as the polyseed capsule requires only one hour of stirring to activate it. 1 Polyseed capsule was added in 500 mL DI water and then stirred for 1 hour for proper mixing and functioning of inoculum & settled for 15 minutes to eliminate the bran. Decanted polyseed solution was used as mixed inoculum. Thus, concentration of test inoculum used for the study was 32 ml/l which corresponds to 10E7 to 10E8 CFU/ml. The concentration of test and reference substance (Sodium Benzoate) chosen for both the study was 4 mg/L. OECD mineral medium was used for the study. ThOD (Theoretical oxygen demand) of test and reference chemical was determined by calculation. % degradation was calculated using the values of BOD and ThOD for test chemical and reference substance. The % degradation of procedure control (reference substance) was also calculated using BOD & ThOD and was determined to be 78.31 %. Degradation of Sodium Benzoate exceeds 43.37% on 7 days & 61.44% on 14th day. The activity of the inoculum is thus verified and the test can be considered as valid. The BOD28 value of test chemical was observed to be 1.07 mgO2/mg. ThOD was calculated as 1.23 mgO2/mg. Accordingly, the % degradation of the test chemical after 28 days of incubation at 20 ± 1°C according to Closed Bottle test was determined to be 86.99%. Based on the results, the test chemical under the test conditions, was considered to be readily biodegradable in nature.

Biodegradation in water and sediment

Estimation Programs Interface prediction model was run to predict the half-life in water and sediment for the test chemical. If released in to the environment, 33.4% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of test chemical in sediment is estimated to be 337.5 days (8100 hrs).However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.0832%), indicates that test chemicalis not persistent in sediment.

Biodegradation in soil

The half-life period of test chemical in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database. If released into the environment, 66.5% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Bioaccumulation: aquatic / sediment

BCFBAF model (v3.01) 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 10.43 L/kg whole body w.w (at 25°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.

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 12.14 L/kg (log Koc=1.0842) by means of MCI method (at 25°C). This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid 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

Biodegradation study was conducted for 28 days following the principles of the OECD guideline 301 D for determining the ready biodegradability of the test chemical (Experimental study report, 2018). The study was performed at a temperature of 20°C under aerobic conditions. Aerobic conditions was provided by means of mineral media which is aerated for 20 hours prior to start of the experiment. The test system included control, test chemical and reference substance. Polyseed capsule (mixed culture) was used as a test inoculum for the study. Test inoculum polyseed capsule was composed of blend of specialized microbial cultures and food grade gelatin made by International Laboratory Supply (InterLab), LTD. No pretreatment / preconditioning was given to the test inoculum as the polyseed capsule requires only one hour of stirring to activate it. 1 Polyseed capsule was added in 500 mL DI water and then stirred for 1 hour for proper mixing and functioning of inoculum & settled for 15 minutes to eliminate the bran. Decanted polyseed solution was used as mixed inoculum. Thus, concentration of test inoculum used for the study was 32 ml/l which corresponds to 10E7 to 10E8 CFU/ml. The concentration of test and reference substance (Sodium Benzoate) chosen for both the study was 4 mg/L. OECD mineral medium was used for the study. ThOD (Theoretical oxygen demand) of test and reference chemical was determined by calculation. % degradation was calculated using the values of BOD and ThOD for test chemical and reference substance. The % degradation of procedure control (reference substance) was also calculated using BOD & ThOD and was determined to be 78.31 %. Degradation of Sodium Benzoate exceeds 43.37% on 7 days & 61.44% on 14th day. The activity of the inoculum is thus verified and the test can be considered as valid. The BOD28 value of test chemical was observed to be 1.07 mgO2/mg. ThOD was calculated as 1.23 mgO2/mg. Accordingly, the % degradation of the test chemical after 28 days of incubation at 20 ± 1°C according to Closed Bottle test was determined to be 86.99%. Based on the results, the test chemical under the test conditions, was considered to be readily biodegradable in nature.

Biodegradation in water and sediment

Estimation Programs Interface prediction model was run to predict the half-life in water and sediment for the test chemical. If released in to the environment, 33.4% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of test chemical in sediment is estimated to be 337.5 days (8100 hrs).However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.0832%), indicates that test chemicalis not persistent in sediment.

In addition to this, biodegradation in water and sediment endpoint can also be considered for waiver as per in accordance with column 2 of Annex IX of the REACH regulation, testing for this end point is scientifically not necessary and does not need to be conducted since the test chemical is readily biodegradable in water.

Biodegradation in soil

The half-life period of test chemical in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database. If released into the environment, 66.5% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

In addition to this, biodegradation in soil endpoint can also be considered for waiver as per in accordance with column 2 of Annex IX of the REACH regulation, testing for this end point is scientifically not necessary and does not need to be conducted since the test chemical is readily biodegradable in water.

On the basis of available information, the test chemical was considered to be readily biodegradable in water.

Bioaccumulation: aquatic / sediment

Various predicted data for the test chemical 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 10.43 L/kg whole body w.w (at 25°C).

   

Bioconcentration Factor (BCF) of test chemical was estimated using Chemspider database (2020). The bioconcentration factor of test chemical was estimated to be 7.27 at both pH 5.5 and 7.4, respectively.

 

Another predicted data was estimated using SciFinder database (American Chemical Society (ACS), 2020) for predicting the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 2.71 (at 25°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 2.24 dimensionless . The predicted BCF result based on the 5 OECD principles.

 

On the basis of above results for test chemical, it can be concluded that the BCF value of test chemical was evaluated to be ranges from 2.24 to 10.43, respectively which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.

 

In addition to this, bioaccumulation endpoint can also be considered for waiver as per in accordance with column 2 of Annex IX of the REACH regulation, testing for this end point is scientifically not necessary and does not need to be conducted because the substance has a low potential for bioaccumulation based on logKow ≤ 3.

Adsorption / desorption

Various predicted data for the test chemical were reviewed for the adsorption end point which are summarized as below:

 

In a prediction done using the KOCWIN Program of Estimation Programs Interface was used to predict the soil adsorption coefficient (Koc) of test chemical. The soil adsorption coefficient i.e Koc value of test chemical was estimated to be 12.14 L/kg (log Koc=1.0842) by means of MCI method (at 25°C). This Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

   

Adsorption coefficient (Koc) of test chemical was estimated using Chemspider database (2020). The adsorption coefficient (Koc) of test chemical was estimated to be 144.03 (logKoc = 2.168) at both pH 5.5 and 7.4, respectively. This Koc value indicates that the test chemical has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

 

Another predicted data was estimated using SciFinder database (American Chemical Society (ACS), 2020) for predicting the adsorption coefficient (Koc) of test chemical. The adsorption coefficient (Koc) of test chemical was estimated to be 71.1 (logKoc = 1.851) (at 25°C and 1-10 pH). This Koc value indicates that the test chemical has a low sorption to soil and sediment and therefore have moderate 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 269 L/kg (logKoc = 2.42).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the test chemical has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

 

On the basis of above results for test chemical, it can be concluded that the logKoc value of test chemical was evaluated to be ranges from 1.08 to 2.42, respectively indicating that the test chemical has a negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to ground water.

 

In addition to this, adsorption endpoint can also be considered for waiver as per in accordance with column 2 of Annex VIII of the REACH regulation, testing for this end point is scientifically not necessary and does not need to be conducted because the substance has a low octanol water partition coefficient and the adsorption potential of the substance is related to this parameter.