1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates

Endpoint summary

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 substance 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates is highly insoluble in water.

Biodegradation in water

Estimation Programs Interface Suite (2018) was run to predict the biodegradation potential of the test compound 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates (CAS no.  84281 -74 -3) 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 chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates is expected to be not readily biodegradable.

Bioaccumulation: aquatic / sediment

BCFBAF model of Estimation Programs Interface (2018) was used to predict the bioconcentration factor (BCF) of test chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates (CAS No. 84281 -74 -3). The bioconcentration factor (BCF) of 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates was estimated to be 56.23 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates is not 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 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates (CAS No. 84281 -74 -3). The soil adsorption coefficient i.e Koc value of 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates was estimated to be 331000 L/kg (log Koc=5.5198) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates 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 scientifically not necessary and does not need to be conducted since the substance 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates is highly insoluble in water.

Biodegradation in water

Predicted data for the target compound 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates (CAS No. 84281-74-3) and various supporting weight of evidence studies for its structurally and functionally similar read across substance were reviewed for the biodegradation end point which are summarized as below:

 

In a prediction using the Estimation Programs Interface Suite, the biodegradation potential of the test compound 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates (CAS no.  84281 -74 -3) in the presence of mixed populations of environmental microorganisms was estimated. 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 chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates is expected to be not readily biodegradable.

 

In a supporting weight of evidence study from peer reviewed journal (Toshihide Saito et. al., 1984) for the test item,biodegradation experiment was conducted for evaluating the percentage biodegradability of test substance. Activated sludge was used as a test inoculum obtained from municipal sewage. Test substance of conc. 500 mg/l was prepared and diluted as needed.The COD measurement was performed by the potassium dichromate reflux method based on Japanese Industrial Standards. In the BOD measurement, a sample solution was taken into a container. Then JIS-BOD testing solutions, i.e. 3 ml of A solution and 1 ml of B, C, D solutions were added to the sample solution, respectively. Then 5 ml of the supernatant of the municipal sewage activated sludge was added to the sample solution and diluted to 300 ml with water. Immediately, the BOD-time curve was recorded at 20~ using an Ohkura OM-200I type coulometer. The TOC measurement was carried out by a Yanagimoto TOC-ILW.BOD5, COD, ThOD and TOC value of the test chemical was determined to be 0.021, 0.65, 1.23 and 0.20 g/g, respectively. The BOD5/TOC ratio of chemical was determined to be 0.11 (i.e. ranges in between 0.08-0.89), indicating that the chemical is highly resistant to aerobic biodegradation. Thus, based on this value BOD5/TOC value, it can be concluded that the chemical is not readily biodegradable in nature.

 

Another biodegradation study was carried out for 48 days for evaluating the percentage biodegradation of the test chemical using modified OECD Guideline 302B. Activated sludge was used as a test inoculum. The sources of the activated sludge were treatment plants conveniently located to the laboratories carrying out the test. These treatment plants received communal and/or industrial wastewater. Concentration of inoculum i.e, activated sludge used was 0.5 g/l and initial test substance conc. used in the study was 100 mg/l. Analytical methods involve the measurement of extinction at absorption maximum 412 nm and DOC (dissolved organic carbon).The percentage degradation of test substance was determined to be 5% by DOC removal. Based on the limit values for classification of Static Test – the test chemical was classified in CATEGORY ‘D’. Thus, the test substance is considered to be not readily biodegradable in nature.

 

For the test chemical,biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of test substance. The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I) (authoritative databases, 2018). Activated sludge (non-adapted) 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 substance was determined to be 0% by BOD parameter in 14 days. Thus, based on percentage degradation, test chemical is considered to be not readily biodegradable in nature.

 

In a supporting weight of evidence study from authoritative databases (J-CHECK and EnviChem, 2018) for the test item,biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of test substance. The study was performed according toOECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I). Activated sludge (non-adapted) 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 substance was determined to be 0% by BOD and HPLC parameter in 28 days. Thus, based on percentage degradation, test chemical is considered to be not readily biodegradable in water.

 

On the basis of above results for target chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates(from modelling database, 2018), it can be concluded that the test substance 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates can be expected to be not readily biodegradable in nature.

Bioaccumulation: aquatic / sediment

Various predicted data for the target compound 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates(CAS No. 84281-74-3) and supporting weight of evidence studies for its structurally and functionally similar read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

In a prediction done using the BCFBAF Program of Estimation Programs Interface (2018) was used to predict the bioconcentration factor (BCF) of test chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates (CAS No. 84281 -74 -3). The bioconcentration factor (BCF) of 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates was estimated to be 56.23 L/kg whole body w.w (at 25 deg C).

 

In a supporting weight of evidence study from authoritative databases (J-CHECK and EnviChem, 2018) for the test item,bioaccumulation experiment was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of test chemical. The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively. Cyprinus carpio was used as a test organism for the study. Test chemical was prepared inHCO-40.Test chemical nominal conc. used for the study was 0.35 mg/land 0.035 mg/l, respectively. Analytical method involve the recovery ratio: Test water: 98.3 %, Fish : 96.7 %, - Limit of quantitation : Test water :1st concentration area : 100 %, 2nd concentration area : 98.6 %, Fish : 90.8 %, - Limit of detection : Fish : 0.103 ppm. Range finding study involve the TLm(48h) ≥ 100 ppm (w/v) on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be in the range of 0.29-2.9 L/Kg at a conc. of 0.35 mg/l and 2.9-11 L/Kg at a conc. of 0.035 mg/l, respectively.

 

For the test chemical,bioaccumulation study was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of test chemical (J-CHECK and EnviChem, 2018). The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively. Cyprinus carpio was used as a test organism for the study. Test chemical was prepared inHCO-40.Test chemical nominal conc. used for the study was 0.1mg/land 0.01 mg/l, respectively. Analytical method involve therecovery ratio: Test water: 98.3 %, Fish : 96.7 %, - Limit of quantitation : Test water :1st concentration area : 94.2 %, 2nd concentration area : 100 %, Fish : 80.7 %, - Limit of detection : Fish : 0.0186 ppm. Range finding study involve the TLm(48h) ≥ 420 ppm (w/v)on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be in the range of 0.38-3.2 L/Kg at a conc. of 0.1 mg/l and 2.4-5.4 L/Kg at a conc. of 0.01 mg/l, respectively.

 

On the basis of above results for target chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates (from modelling databases, 2018), it can be concluded that the BCF value of test substance1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates was estimated to be 56.23 L/kg which does not exceed the bioconcentration threshold of 2000, indicating that the chemical1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates is not expected to bioaccumulate in the food chain.

Adsorption / desorption

Various predicted data for the target compound 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates (CAS No. 84281-74-3) and supporting weight of evidence study for its structurally and functionally 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 (2018) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates (CAS No. 84281 -74 -3). The soil adsorption coefficient i.e Koc value of 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates was estimated to be 331000 L/kg (log Koc=5.5198) by means of MCI method (at 25 deg C).

 

In a supporting weight of evidence study from authoritative databases (HSDB, 2017) for the test item,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 substance was estimated to be 66000 (Log Koc = 4.819).

 

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 logKow of 7.5 and a regression derived equation. The adsorption coefficient (Koc) value of test substance was estimated to be 290000 (Log Koc = 5.462).

 

On the basis of above overall results for target chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates (from modelling databases,2017), it can be concluded that the Koc value of test substance 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates was estimated to be 331000 L/kg (log Koc=5.5198), respectively, indicating that the test chemical 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.