Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 219-989-7 | CAS number: 2592-95-2
Endpoint summary
Administrative data
Description of key information
Hydrolysis
On the basis of the experimental studies of the test chemical and applying the weight of evidence approach, the hydrolysis half-life value of the test chemical can be expected to be ranges from 1.1 days to > 1 yr, at pH range 5-9 & temperature of 50-55°C, respectively. Thus, based on this half-life value, it can be concluded that the test chemical is not hydrolysable in water.
Biodegradation in water
35-days Closed Bottle test following the OECD guideline 301 D to determine the ready biodegradability of the test item (Experimental study report, 2018). The study was performed at a temperature of 20°C. The test system included control, test item and reference item. Polyseed were used for this study. The concentration of test and reference item (Sodium Benzoate) chosen for both the study was 4 mg/L, while that of inoculum was 32 ml/l. OECD mineral medium was used for the study. ThOD (Theoretical oxygen demand) of test and reference item was determined by calculation. % degradation was calculated using the values of BOD and ThOD for test item and reference item. The % degradation of procedure control (reference item) was also calculated using BOD & ThOD and was determined to be 73.49%. Degradation of Sodium Benzoate exceeds 31.32% on 7 days & 49.39% 14th day. The activity of the inoculum was thus verified and the test can be considered as valid. The BOD35 value of test chemical was observed to be 0.67 mgO2/mg. ThOD was calculated as 1.06 mgO2/mg. Accordingly, the % degradation of the test item after 35 days of incubation at 20 ± 1°C according to Closed Bottle test was determined to be 63.2%. Based on the results, the test item, under the test conditions, was considered to be ultimate inherently biodegradable in nature.
Biodegradation in water and sediment
Estimation Programs Interface (2018) prediction model was run to predict the half-life in water and sediment for the test chemical. If released in to the environment, 20.6% 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 15 days (360 hrs). The half-life (15 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 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.0959%), indicates that test chemical is 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 (2018). If released into the environment, 79.3% 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 30 days (720 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 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 3.162 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.
Adsorption / desorption
The adsorption coefficient Koc in soil and in sewage sludge of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals (Experimental study report, 2017). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately weighing 5 mg of test item and diluted with Methanol up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 4.90. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances were Benzamide, Nmethylbenzamide, 4-Nitrobenzamide, N,N-dimethylbenzamide, 4-methylaniline(p-Tolouidine), 4-chloroaniline having Koc value ranging from 1.239 to 1.96. The Log Koc value of test chemical was determined to be 0.5474 ± 0.007 at 25°C. This log 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
Data available for the test chemical has been reviewed to determine the half-life of hydrolysis as a function of pH. The studies are as mentioned below:
The half-life value of test chemical was determined at a pH range 5-9 and at a temperature of 55°C, respectively. The estimated half-life value of test chemical was determined to be ranges from 29 to 146 days, respectively. Based on the half-life values, it is concluded that the test chemical is not hydrolysable.
In an another study, the half-life of the test chemical was determined. The study was performed according to OECD Guideline 111 (Hydrolysis as a Function of pH). Percentage degradation of test chemical was determined to be 3.91%, 1.085% and 4.78% at pH 4.0, 7.0 and 9.0 & at a temperature of 50°C, respectively and the half-life value of test chemical was determined to be > 1 yr. Since the chemical is not degradable less than 10 % in this test condition, it is presumably stable in water. Thus based on this, test chemical is considered to be not hydrolysable in water.
For the test chemical, the half-life of the test chemical was determined. The half-life value of test chemical was determined to be 1.1 days. Thus based on the value, test chemical is considered to undergoe slow hydrolysis in water.
On the basis of the experimental studies of the test chemical and applying the weight of evidence approach, the hydrolysis half-life value of the test chemical can be expected to be ranges from 1.1 days to > 1 yr, at pH range 5-9 & temperature of 50-55°C, respectively. Thus, based on this half-life value, it can be concluded that the test chemical is not hydrolysable in water.
Biodegradation in water
35-days Closed Bottle test following the OECD guideline 301 D to determine the ready biodegradability of the test item (Experimental study report, 2018). The study was performed at a temperature of 20°C. The test system included control, test item and reference item. Polyseed were used for this study. The concentration of test and reference item (Sodium Benzoate) chosen for both the study was 4 mg/L, while that of inoculum was 32 ml/l. OECD mineral medium was used for the study. ThOD (Theoretical oxygen demand) of test and reference item was determined by calculation. % degradation was calculated using the values of BOD and ThOD for test item and reference item. The % degradation of procedure control (reference item) was also calculated using BOD & ThOD and was determined to be 73.49%. Degradation of Sodium Benzoate exceeds 31.32% on 7 days & 49.39% 14th day. The activity of the inoculum was thus verified and the test can be considered as valid. The BOD35 value of test chemical was observed to be 0.67 mgO2/mg. ThOD was calculated as 1.06 mgO2/mg. Accordingly, the % degradation of the test item after 35 days of incubation at 20 ± 1°C according to Closed Bottle test was determined to be 63.2%. Based on the results, the test item, under the test conditions, was considered to be ultimate inherently biodegradable in nature.
Biodegradation in water and sediment
Estimation Programs Interface (2018) prediction model was run to predict the half-life in water and sediment for the test chemical. If released in to the environment, 20.6% 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 15 days (360 hrs). The half-life (15 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 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.0959%), indicates that test chemical is 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 (2018). If released into the environment, 79.3% 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 30 days (720 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.
On the basis of available information, the test chemical can be considered to be ultimate inherently biodegradable in nature.
Bioaccumulation: aquatic / sediment
Various predicted data of 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 3.162 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 1, 1.59, 1.92, 1.96, 1.97, 1.96, 1.87, 1.30 and 1 at pH range 0, 1, 2, 3, 4, 5, 6, 7 and 8-14, 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 1.23 at pH 5.5 and 1.0 at pH 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 1.59, 1.92, 1.96, 1.97, 1.87, 1.30 and 1.0 at pH range 1, 2, 3 & 5, 4, 7 and 8-10, 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 5.01 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test chemical is non-bioaccumulative in nature.
On the basis of above results for test chemical (from modelling databases, 2017), it can be concluded that the BCF value of test chemical ranges from 1 to 5.01, respectively,which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.
Waiver statement
Bioaccumulation endpoint can also be considered for waiver as per inaccordance with column 2 of Annex IX of the REACH regulation, testing for this endpoint is scientifically not necessary and does not need to be conducted since the test chemical has a low potential for bioaccumulation based on logKow ≤ 3.
Adsorption / desorption
The adsorption coefficient Koc in soil and in sewage sludge of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals (Experimental study report, 2017). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurately weighing 5 mg of test item and diluted with Methanol up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 4.90. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances were Benzamide, Nmethylbenzamide, 4-Nitrobenzamide, N,N-dimethylbenzamide, 4-methylaniline(p-Tolouidine), 4-chloroaniline having Koc value ranging from 1.239 to 1.96. The Log Koc value of test chemical was determined to be 0.5474 ± 0.007 at 25°C. This log Koc value indicates that the test chemical has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
