Benzene-1,4-diammonium sulphate

Endpoint summary

Description of key information

Stability:

Hydrolysis:

On the basis of the experimental studies of the structurally and functionally similar read across chemical and applying the weight of evidence approach, the hydrolysis half-life value of the test chemical Benzene-1,4-diammonium sulphate (16245-77-5) can be expected to be > 30 days at pH 5, 7 and 9 and the hydrolysis rate constant can be 2.9X10+9 cm3/mol/sec indicating negligible hydrolysis. Thus, based on this half-life value, it can be concluded that the test chemical Benzene-1,4-diammonium sulphate (16245-77-5) is not hydrolysable.

Biodegradation:

Biodegradation in water

Based on the study performed according to OECD guideline 301D the test chemical Benzene-1,4-diammonium sulphate (CAS No.16245-77-5) undergoes 75% biodegradation after 42 days in the test condition. Thus, the test chemical was considered to be inherently biodegradable in nature.

Biodegradation in water and sediment

Estimation Programs Interface (EPI) Suite (2017) prediction model was run to predict the half-life in water and sediment for the test compound Benzene-1,4 -diammonium sulphate (CAS No. 16245 -77 -5). If released in to the environment, 24.5% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Benzene-1,4 -diammonium sulphate 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 Benzene-1,4-diammonium sulphate in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical Benzene-1,4-diammonium sulphate into the sediment is less than 1% (i.e, reported as 0.0748%), indicates that Benzene-1,4-diammonium sulphate is not persistent in sediment.

 

Biodegradation in soil

The half-life period of Benzene-1,4-diammonium sulphate (CAS No. 16245 -77 -5) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 75.4% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of Benzene-1,4-diammonium sulphate in soil is estimated to be 30 days (720 hrs). Based on this half-life value of Benzene-1,4 -diammonium sulphate, 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:

Bioaccumulation: aquatic / sediment

From BCFBAF (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for Benzene-1,4-diammonium sulphate is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that Benzene-1,4-diammonium sulphate is not expected to bio accumulate in the aquatic environment.

Transport and distribution:

Adsorption / desorption

The adsorption coefficient Koc in soil and in sewage sludge Benzene-1,4-diammonium sulphate(CAS No.16245-77-5) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 121 for testing of Chemicals. The reference substances were chosen according to functional group similarity with the test substance and calibration graph was prepared. The reference substances were 4-chloroaniline, 4-Nitrobenzamide, N,N-dimethylbenzamide, N-methylbenzamide and Benzamide having Koc value ranging from 1.239 to 1.96. The Log Koc value was determined to be 1.0818 ±0.0061 at 25°C.

Additional information

Stability:

Hydrolysis:

Data available for the structurally and functionally similar read across chemicals has been reviewed to determine the half-life of the test chemical Benzene-1,4-diammonium sulphate (16245-77-5).The studies are as mentioned below.

In first study which is reviewed from authoritative database (HSDB) the hydrolysis rate constant of test chemical obtained was 2.9X10+9 L/mol-sec( L/mol/sec and the half life of hydrolysis observed at pH 7 was 276 days . Since half life of hydrolysis is more than 10 days so it is concluded that test chemical shows negligible hydrolysis that means it is not hydrolysable.

Another study was also reviewed from authoritative database (HSDB) in this study the half life of hydrolysis of test chemical was determined to be > 30 days at pH 5, 7 and 9. On the basis of this half life value it is concluded that test chemical is not hydrolysable i.e., stable to hydrolysis in water.

On the basis of the experimental studies of the structurally and functionally similar read across chemical and applying the weight of evidence approach, the hydrolysis half-life value of the test chemical Benzene-1,4-diammonium sulphate (16245-77-5) can be expected to be > 30 days at pH 5, 7 and 9 and the hydrolysis rate constant can be 2.9X10+9 cm3/mol/sec indicating negligible hydrolysis. Thus, based on this half-life value, it can be concluded that the test chemical Benzene-1,4-diammonium sulphate (16245-77-5)is not hydrolysable.

Biodegradation:

Biodegradation in water:

Experimental studies according OECD guildeline were performed for target chemical Benzene-1,4-diammonium sulphate (CAS No.16245-77-5) and its structurally similar read across chemical for biodegradation in water endpoints and their results are summarized below.

The first study was experimental study in this study the 42 -days Closed Bottle test following the OECD guideline 301 D was performed to determine the ready biodegradability of the test item Benzene-1,4-diammonium sulphate (CAS No.16245-77-5). 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. 1 polyseed capsule were added in 500 ml D.I water and then stirred for 1 hour for proper mixing and functioning of inoculum. This gave the bacterial count as 10⁷to 10⁸CFU/ ml. At the regular interval microbial plating was also performed on agar to confirm the vitality and CFU count of microorganism. 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 75.3%. Degradation of Sodium Benzoate exceeds 46.38 % 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 BOD42 value of test chemical Benzene-1,4-diammonium sulphate was observed to be 0.75 mgO2/mg. ThOD was calculated as 1 mgO2/mg. Accordingly, the % degradation of the test item after 42 days of incubation at 20 ± 1°C according to Closed Bottle test was determined to be 75%. Based on the results, the test item, under the test conditions, was considered to be inherently biodegradable in nature.

Next study was also experimental study in this study the ready biodegradability of the test substance was determined in the Closed Bottle test performed according to slightly modified OECD guidelines. The test was prolonged because the pass level was not reached at day 28 and the test substance was used as received from Akzo Nobel Fibres, Amhem. Validity of the test was confirmed by endogenous respiration of 1.5 mg/L, oxygen concentrations > 0.5 mg/L in all bottles during the test period, and less than 20% differences between replicates. The test substance caused no reduction in the endogenous respiration. Therefore, the test substance is considered to be non-inhibitory to the inoculum. The test substance was biodegraded approximately 30% at day 28 in the Closed Bottle test. After 84 d, the biodegradation percentage did not increase. Therefore, the test substance is inherently biodegradable. The biodegradation percentages found were comparable in the presence and absence of silica gel, suggesting that the test substance is not toxic to activated sludge at the tested concentration.

By considering results of both the studies mentioned above it is concluded that test chemical Benzene-1,4-diammonium sulphate (CAS No.16245-77-5) is inherently biodegradable in nature.

Biodegradation in water and sediment

Estimation Programs Interface (EPI) Suite (2017) prediction model was run to predict the half-life in water and sediment for the test compound Benzene-1,4 -diammonium sulphate (CAS No. 16245 -77 -5). If released in to the environment, 24.5% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Benzene-1,4 -diammonium sulphate 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 Benzene-1,4-diammonium sulphate in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical Benzene-1,4-diammonium sulphate into the sediment is less than 1% (i.e, reported as 0.0748%), indicates that Benzene-1,4-diammonium sulphate is not persistent in sediment.

 

Biodegradation in soil

The half-life period of Benzene-1,4-diammonium sulphate (CAS No. 16245 -77 -5) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 75.4% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of Benzene-1,4-diammonium sulphate in soil is estimated to be 30 days (720 hrs). Based on this half-life value of Benzene-1,4 -diammonium sulphate, 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 substance Benzene-1,4-diammonium sulphate can be considered to be inherently biodegradable in nature.

Bioaccumulation:

Bioaccumulation: aquatic / sediment

Predicted data study for target chemical Benzene-1,4-diammonium sulphate (CAS no. 16245-77-5) and experimental studies for its structurally similar read across chemicals have been reviewed and their results are summarized below for bioaccumulation endpoint.

The first study was predicted data study in this study from BCFBAF (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for test chemical Benzene-1,4-diammonium sulphate is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that Benzene-1,4-diammonium sulphate is not expected to bio accumulate in the aquatic environment.

Next study was experimental study reviewed from authoritative database (J check) in this study the Bioaccumulation test was conducted according to OECD Guideline 305 (Bioconcentration: Flow-through Fish Test) for 28 days of test chemical on test organism Cyprinus carpio. The recovery ratio is given- Test water: 100 % (Only dilution was conducted as the pretreatment in the test water analysis.), Fish : 92.6 % and Limit of quantitation : Test water : 1st concentration area : 0.043 microg/L, 2nd concentration area : 0.0043 microg/L, Fish : 0.047 ng/g. The Nominal concentrations used in the study was - 0.8 microg/L, 2nd Concentration area : 0.08 microg/L and Range finding study was carried out on Rice fish (Oryzias latipes) and the 96 hr LC50 value was determined to be  0.367 mg/L.  Thus according to OECD Guideline 305 (Bioconcentration: Flow-through Fish Test) the BCF value for test substance was observed to be 20-40 L/kg at dose concentration 0.8 microg/L and at same concentration it is 32 L/kg on the calculation basis of steady state. Similarly at dose concentration 0.08 microg/L the BCF value observed to be 35 -98 L/kg and at same dose concentration it is 72 L/kg with calculation basis of steady state on test organism Cyprinus carpio during 28 days exposure period. These values indicate that the substance is not bioaccumulative in fish and food chain.

Another experimental study was reviewed from authoritative database HSDB in this study the BCF value of test chemical was determined  to be 0.3 dimensionless by using a measured log Kow value  and a recommended regression-derived equation. By considering this BCF value it can be concluded that test chemical in non bioaccumulative nature.

Last experimental study was also reviewed from authoritative database (HSDB) in this study the BCF value of test chemical in fish (golden ide) was measured as 6.0 dimensionless after 3 days of exposure. According to a classification scheme, this BCF value suggests that the potential for bioconcentration of test chemical in aquatic organisms is low and it is non bioaccumulative in nature.

By considering results of all the studies mentioned above it can be concluded that test chemical Benzene-1,4-diammonium sulphate (CAS no. 16245-77-5)  in non bioaccumulative in aquatic organisms.

Transport and distribution:

Adsorption / desorption

Three studies including experimental study and predicted data from validated models for adsorption (KOC) endpoint of target chemical Benzene-1,4-diammonium sulphate (CAS no. 16245-77-5) were summarized as follows:

In first study the adsorption coefficient Koc in soil and in sewage sludge of test chemical Benzene-1,4-diammonium sulphate (CAS No.16245-77-5) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 121 for testing of Chemicals. The reference substances were chosen according to functional group similarity with the test substance and calibration graph was prepared. The reference substances were 4-chloroaniline, 4-Nitrobenzamide, N,N-dimethylbenzamide, N-methylbenzamide and Benzamide having Koc value ranging from 1.239 to 1.96. The Log Koc value was determined to be 1.0818 ±0.0061 at 25°C.

Above result is supported by prediction done by using KOCWIN model (v2.00) of EPI suite in this prediction adsorption coefficient value (Koc value) of test chemical Benzene-1,4-diammonium sulphate was estimated to be Koc 29.26 L/kg (log Koc = 1.46) by means of MCI method at 25 deg.C. This log Koc value indicates that the substance Benzene-1,4-diammonium sulphate has negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.

Further, to corroborate above studies of target chemical the experimental study was reviewed from authoritative database (HSDB), in this study the Koc of test chemical is estimated to be 16.0 dimensionless (log Koc=1.2041)  using log Kow of 0.3 and a recommended regression derived equation. This log Koc value suggests that test chemical is expected to have high mobility in soil.

Thus all available studies for adsorption endpoint gives the common conclusion that the test substance Benzene-1,4-diammonium sulphate (CAS no. 16245-77-5) is expected to have negligible sorption to soil and sediments and therefore has high migration potential to ground water.