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EC number: 219-616-8 | CAS number: 2481-94-9
Endpoint summary
Administrative data
Description of key information
Biodegradation in water
Biodegradability of 4-(Diethylamino)azobenzene (CAS no. 2481 -94 -9) is predicted using OECD QSAR toolbox version 3.3 (2017) with logKow as the primary descriptor. Test substance undergoes 14% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 4-(Diethylamino)azobenzene was estimated to be not readily biodegradable in water.
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 4-(Diethylamino)azobenzene (CAS No. 2481 -94 -9). If released in to the environment, 12.6% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 4 -(Diethylamino)azo benzene in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is moderate to high whereas the half-life period of 4-(Diethylamino)azobenzene in sediment is estimated to be 541.66 days (13000 hrs). Based on this half-life value, it indicates that 4-(Diethylamino)azo benzene is persistent in sediment.
Biodegradation in soil
The half-life period of 4-(Diethylamino)azobenzene (CAS No. 2481 -94 -9) 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, 80.4% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 4-(Diethylamino)azobenzene in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of 4-(Diethylamino)azobenzene, 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
Using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor of the test substance 4-(Diethylamino)azobenzene was estimated to be 31.2, 61.9, 357, 2489, 7002, 8567, 8764, 8784 and 8786 at pH range 0, 1, 2, 3, 4, 5, 6, 7 and 8-14, respectivelyACD (Advanced Chemistry Development)/I-Lab predictive module, 2017). This value indicates that the test substance 4-(Diethylamino)azobenzene was considered to be very bioaccumulative in aquatic organisms.
Adsorption/desorption
KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 4-(Diethylamino)azobenzene (CAS No. 2481 -94 -9). The soil adsorption coefficient i.e Koc value of 4-(Diethylamino)azobenzene was estimated to be 7380 L/kg (log Koc=3.8680) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 4-(Diethylamino)azobenzene has a strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.
Additional information
Biodegradation in water
Various predicted data for the target compound 4-(Diethylamino)azobenzene (CAS No. 2481-94-9) and supporting weight of evidence studies for its closest read across substance with logKow as the primary descriptor were reviewed for the biodegradation end point which are summarized as below:
In a prediction done by SSS (2017) using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor, percentage biodegradability of test chemical4-(Diethylamino)azobenzene (CAS No. 2481-94-9) was estimated. Test substance undergoes 14% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 4-(Diethylamino)azobenzene was estimated to be not readily biodegradable in water.
In another prediction using the Estimation Programs Interface Suite (EPI suite, 2017), the biodegradation potential of the test compound4-(Diethylamino)azobenzene(CAS No. 2481-94-9) 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 4-(Diethylamino)azobenzene is expected to be not readily biodegradable.
In a supporting weight of evidence study from authoritative database (J-CHECK, HSDB, 2017 and EnviChem, 2014) for the read across chemical 4,4'-bi-o-toluidine (CAS no. 119-93-7), biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance 4,4'-bi-o-toluidine. The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I)). 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 substance 4,4'-bi-o-toluidine was determined to be 3 and 6% by BOD and HPLC parameter in 28 days. Thus, based on percentage degradation, 4,4'-bi-o-toluidine is considered to be not readily biodegradable in nature.
Another biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance 2 -ethylamino-4 -isopropylamino-6 -methylthio-1,3,5 -triazine (CAS no. 834 -12 -8) (J-CHECK, 2017). 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 substance 2 -ethylamino-4 -isopropylamino-6 -methylthio-1,3,5 -triazine was determined to be 0 and 1% by BOD and HPLC parameter in 28 days. Thus, based on percentage degradation, 2 -ethylamino-4 -isopropylamino-6 -methylthio-1,3,5 -triazine is considered to be not readily biodegradable in nature.
For theread across substanceN,N-bis(2,3-epoxypropyl)anilin (CAS no. 2095-06-9) from authoritative database(J-CHECK, 2017), biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across chemical N,N-bis(2,3-epoxypropyl)anilin. 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 substance N,N-bis(2,3-epoxypropyl)anilin was determined to be 3, 2 and 11% by BOD, TOC removal and UV-Vis parameter in 28 days. Thus, based on percentage degradation, N,N-bis(2,3-epoxypropyl)anilin is considered to be not readily biodegradable in nature.
On the basis of above results for target chemical 4 -(Diethylamino)azobenzene (from OECD QSAR toolbox version 3.3 and EPI suite, 2017) and for its read across substance (from authoritative database J-CHECK, HSDB and Envichem), it can be concluded that the test substance 4 -(Diethylamino)azobenzene can be expected to be not readily 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 4-(Diethylamino)azobenzene (CAS No. 2481 -94 -9). If released in to the environment, 12.6% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 4 -(Diethylamino)azo benzene in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is moderate to high whereas the half-life period of 4-(Diethylamino)azobenzene in sediment is estimated to be 541.66 days (13000 hrs). Based on this half-life value, it indicates that 4-(Diethylamino)azo benzene is persistent in sediment.
Biodegradation in soil
The half-life period of 4-(Diethylamino)azobenzene (CAS No. 2481 -94 -9) 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, 80.4% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 4-(Diethylamino)azobenzene in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of 4-(Diethylamino)azobenzene, 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 4-(Diethylamino)azobenzene can be considered to be not readily biodegradable in nature.
Bioaccumulation: aquatic/sediment
Various predicted data for the target compound 4-(Diethylamino)azobenzene(CAS No. 2481-94-9) were reviewed for the bioaccumulation end point which are summarized as below:
In a prediction done by using Bio-concentration Factor (v12.1.0.50374) module ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), theBCF of the test substance 4-(Diethyl amino)azobenzene was estimated to be 31.2, 61.9, 357, 2489, 7002, 8567, 8764, 8784 and 8786 at pH range 0, 1, 2, 3, 4, 5, 6, 7 and 8-14, respectively. This value indicates that the test substance 4-(Diethylamino)azobenzene was considered to be very bioaccumulative in aquatic organisms.
Bioconcentration Factor (BCF) of test chemical 4-(Diethylamino)azobenzene (CAS no. 2481 -94 -9) was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance 4-(Diethylamino)azobenzene was estimated to be 3100.43 at pH 5.5 and 3125.12 at pH 7.4, respectively, which does exceed the bioconcentration threshold of 2000, indicating that the chemical 4-(Diethylamino)azobenzene is expected to bioaccumulate in the food chain.
Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical 4-(Diethyl amino)azobenzene (CAS No. 2481 -94 -9). The bioconcentration factor (BCF) of 4-(Diethylamino)azobenzene was estimated to be 68.5, 395, 2760, 7750, 9490, 9700, 9720 and 9730 at pH range 1, 2, 3, 4, 5, 6, 7 and 8-10, respectively (at 25 deg C) which does exceeds the bio concentration threshold of 5000, indicating that the chemical 4-(Diethylamino)azobenzene is expected to very bioaccumulative in the food chain.
On the basis of above results for target chemical 4-(Diethylamino)azobenzene (from ACD labs,ChemSpider and SciFinder database, 2017), it can be concluded that the BCF value of test substance 4-(Diethylamino)azobenzene ranges from 31.2 –9730 which does exceed the bioconcentration threshold of 5000, indicating that the chemical 4-(Diethylamino)azobenzene is expected to very bioaccumulative in the food chain.
Adsorption/desorption
Various predicted data for the target compound 4-(Diethylamino)azobenzene (CAS No. 2481-94-9) and supporting weight of evidence study for its read across substance were reviewed for the adsorption end point which are summarized as below:
In aprediction done using the KOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 4-(Diethylamino)azobenzene (CAS No. 2481 -94 -9). The soil adsorption coefficient i.e Koc value of 4-(Diethylamino)azobenzene was estimated to be 7380 L/kg (log Koc=3.8680) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 4-(Diethylamino)azobenzene has a strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.
The Soil Adsorption Coefficient i.e Koc value of test substance 4-(Diethylamino)azobenzene was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 82.2, 163, 941, 6558, 18449, 22575, 23091, 23144 and 23150 at pH range 0, 1, 2, 3, 4, 5, 6, 7 and 8-14, respectively (log Koc ranges from 1.9 ± 1.0 to 4.4 ± 1.0) at pH range 0-14 respectively(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017). This Koc value indicates that the substance 4-(Diethylamino)azobenzene has a strong sorption to soil and sediment and therefore have negligible to slow 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 substance 4-(Diethylamino)azobenzene (CAS no. 2481 -94 -9) was estimated. The adsorption coefficient (Koc) value of test substance 4-(Diethylamino)azobenzene was estimated to be 10958.80 (Log Koc = 4.039) at pH 5.5 and 11046.07 (Log Koc = 4.04) at pH 7.4, respectively. This Koc value indicates that the substance 4-(Diethylamino)azobenzene 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 chemical 4 -(Diethylamino)azo benzene (CAS No. 2481 -94 -9)was estimated using the SciFinder database (American Chemical Society (ACS), 2017).The soil adsorption coefficient i.e Koc value of 4-(Diethylamino)azobenzene was estimated to be 175, 1010, 7050, 19800, 24300, 24800 and 24900 at pH range 1, 2, 3, 4, 5, 6 and 7-10, respectively (log Koc value ranges from 2.243 to 4.396) (at 25 deg C). This Koc value indicates that the substance 4-(Diethylamino)azobenzene has a strong sorption to soil and sediment and therefore have negligible to slow 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 substance 4-(Diethylamino)azobenzene was estimated to be 2140 L/kg (log Koc = 3.33).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the substance 4-(Diethylamino)azobenzene has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical 4-Dimethylaminoazobenzene (CAS no. 60-11-7), adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of read across chemical 4 -Dimethylaminoazobenzene. The adsorption coefficient (Koc) value was calculated using an estimated logKow of 4.58. The adsorption coefficient (Koc) value of read across substance 4 -Dimethylaminoazobenzene was estimated to be 7390 (Log Koc = 3.868). This Koc value indicates that the substance 4 -Dimethylaminoazobenzene has a strong sorption tosoil and sediment and therefore have negligible to slow migration potential to ground water.
On the basis of above overall results for target chemical4-(Diethylamino)azobenzene(from EPI suite, ACD labs,ChemSpider, SciFinder database and CompTox Chemistry Dashboard,2017) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the Koc value of test substance4-(Diethylamino)azobenzene ranges from 82.2–24900 indicating that the test chemical 4-(Diethylamino)azobenzene has a moderate to strong sorption to soil and sediment and therefore have slow to negligible migration potential to ground water.
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