N-benzyl-N-ethylaniline

Endpoint summary

Description of key information

Biodegradation in water

Biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of test substance N-benzyl-N-ethylaniline (CAS no.92-59-1)(Advisory Board for Environmentally Relevant Existing Substances (BUA), 2000).The percentage degradation of test substance N-benzyl-N-ethylaniline was determined to be 0% by BOD parameter in 28 days. Thus, based on percentage degradation, N-benzyl-N-ethylaniline is considered 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 N-benzyl-N-ethylaniline (CAS No. 92 -59 -1). If released in to the environment, 16.1% 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 N-benzyl-N-ethylaniline in sediment is estimated to be 337.5 days (8100 hrs). Based on this half-life value, it indicates that N-benzyl-N-ethylaniline is persistent in sediment.

Biodegradation in soil

The half-life period of N-benzyl-N-ethylaniline (CAS No. 92 -59 -1) 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, 78.4% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of N-benzyl-N-ethyl aniline in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of N-benzyl-N-ethylaniline, 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 (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical N-benzyl-N-ethylaniline (CAS No. 92 -59 -1). The bioconcentration factor (BCF) of N-benzyl-N-ethylaniline was estimated to be 224.9 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the chemical N-benzyl-N-ethylaniline is not expected to bioaccumulate in the food chain.

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

N-benzyl-N-ethylaniline (CAS No. 92 -59 -1). The soil adsorption coefficient i.e Koc value of N-benzyl-N-ethylaniline was estimated to be 5877 L/kg (log Koc=3.7692) by means of MCI method (at 25 deg C). This Koc value indicates that the substance N-benzyl-N-ethylaniline 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 experimental study for the target compoundN-benzyl-N-ethylaniline(CAS No. 92-59-1) and supporting weight of evidence studies for its read across substance were reviewed for the biodegradation end point which are summarized as below:

 

In an experimental study from secondary source (Advisory Board for Environmentally Relevant Existing Substances (BUA), 2000), biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of test substance N-benzyl-N-ethylaniline (CAS no.92-59-1).The percentage degradation of test substance N-benzyl-N-ethylaniline was determined to be 0% by BOD parameter in 28 days. Thus, based on percentage degradation, N-benzyl-N-ethylaniline is considered to be not readily biodegradable in nature.

 

Another biodegradation study was conducted for evaluating the percentage biodegradability of test substance N-benzyl-N-ethylaniline (CAS no.92 -59 -1) (B.C.J. Zoeteman et. al; 1980). Rhine river surface water was used as a test inoculum obtained from Lobith or Gorinchem and the Rhine river surface water has a depth of approx. of 4 -5 meters. Initial test substance conc. used in the study was 0.001 mg/l, respectively. A careful sampling of Rhine water at Lobith was carried out for quantification of a wide range of chemicals in the water by means of GC-MS analyses of concentrates prepared by closed-loop gasstripping and XAD adsorption techniques. Assuming that reduction of the concentration of the chemicals takes place according to a first order overall process, the corresponding reaction constant and half-life was estimated from the observed drop in concentration during the known retention period. The percentage degradation of test substance N-benzyl-N-ethylaniline was determined to be 50% in 0.1 days (2.4 hrs). Thus, based on percentage degradation, N-benzyl-N-ethylaniline is considered to be readily biodegradable in nature.

 

In a supporting weight of evidence study from peer reviewed journal (H. Heukelekian and M. C. Rand, 1955) for the read across chemical N,N-diethylaniline (CAS no. 91-66-7), biodegradation experiment was conducted for 5 days for evaluating the percentage biodegradability of read across substance N, N-diethylaniline using standard dilution method at a temperature of 20°C. Sewage was used as a test inoculum. The 5 day BOD value of chemical N, N-diethylaniline was determined to be 0 g/g. Thus, based on this value, N, N-diethylaniline is considered to be not readily biodegradable in nature.

 

Additional biodegradation study was conducted for 5 days for evaluating the percentage biodegradability of read across substance N, N-diethylaniline (CAS no. 91-66-7) (HSDB, 2017). Sewage sludge was used as a test inoculum. The percentage degradation of substance N, N-diethylaniline was determined to be 5% by BOD parameter in 5 days. Thus, based on percentage degradation, N, N-diethylaniline is considered to be not readily biodegradable in nature.

 

For the same read across chemical N,N-diethylaniline (CAS no. 91-66-7) from authoritative database (J-CHECK and Envichem, 2017), biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of read across substance N, N-diethylaniline. 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-diethylaniline was determined to be 0% by BOD parameter in 14 days. Thus, based on percentage degradation, N, N-diethylaniline is considered to be not readily biodegradable in nature.

 

In a supporting weight of evidence study from authoritative database (J-CHECK, 2017) for the read across chemical N, N-dimethylaniline (CAS no. 121-69-7),biodegradation experiment was conducted for 14 days for evaluating the percentage biodegradability of read across substance N, N-dimethylaniline. 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-dimethylaniline was determined to be1.9, 12.3 and 0% by BOD, TOC removal and GC parameter in 14 days. Thus, based on percentage degradation, N, N-dimethylaniline is considered to be not readily biodegradable in nature.

 

Although one study from peer reviewed journal ((B.C.J. Zoeteman et. al; 1980) indicate that the test chemicalN-benzyl-N-ethylanilineis readily biodegradable in nature, but based on the secondary source (2000) in which the study has been carried out according to standard procedure andon the basis of above results for its read across substance (from authoritative database HSDB, J-CHECK, Envichem and peer reviewed journals), it can be concluded that the test substanceN-benzyl-N-ethylanilinecan 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 N-benzyl-N-ethylaniline (CAS No. 92 -59 -1). If released in to the environment, 16.1% 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 N-benzyl-N-ethylaniline in sediment is estimated to be 337.5 days (8100 hrs). Based on this half-life value, it indicates that N-benzyl-N-ethylaniline is persistent in sediment.

Biodegradation in soil

The half-life period of N-benzyl-N-ethylaniline (CAS No. 92 -59 -1) 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, 78.4% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of N-benzyl-N-ethyl aniline in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of N-benzyl-N-ethylaniline, 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 N-benzyl-N-ethylaniline can be considered to be not readily biodegradable in nature.

Bioaccumulation: aquatic/sediment

Various predicted data for the target compound N-benzyl-N-ethylaniline (CAS No. 92-59-1) and supporting weight of evidence studies for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

A prediction was done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2017) for the bioconcentration factor (BCF) of test chemical N-benzyl-N-ethylaniline (CAS No. 92 -59 -1). The bioconcentration factor (BCF) of N-benzyl-N-ethylaniline was estimated to be 224.9 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the chemical N-benzyl-N-ethylaniline is not expected to bioaccumulate in the food chain.

 

For the target compound, N-benzyl-N-ethylaniline(CAS No. 92-59-1) from secondary source (Advisory Board for Environmentally Relevant Existing Substances (BUA), 2000), bioaccumulation study was conducted on test organism fish. Fish was used as a test organism for the study were obtained from the contaminated Buffalo River (U. S. A.). The bioconcentration factor (BCF value) of substance N-benzyl-N-ethylaniline on fish was determined to be 170µg/kg whereas 45µg/kg was still found in fish samples taken 4 miles downstream, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical N-benzyl-N-ethylaniline is not expected to bioaccumulate in the food chain.

 

Bioaccumulation test was conducted for estimating the bioconcentration factor (BCF) of test chemical N-benzyl-N-ethylaniline (CAS no. 92 -59 -1)(ChemSpider, 2017). The bioconcentration factor (BCF) of N-benzyl-N-ethylaniline was estimated to be 786.94 at pH 5.5 and 1211.84 at pH 7.4, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical N-benzyl-N-ethylaniline is not expected to bioaccumulate in the food chain.

 

Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) for predicting the bioconcentration factor (BCF) of test chemical N-benzyl-N-ethylaniline (CAS No. 92 -59 -1). The bioconcentration factor (BCF) of N-benzyl-N-ethylaniline was estimated to be 2.34, 2.71, 6.41, 41.4, 265, 618, 713 and 724 at pH 1, 2, 3, 4, 5, 6, 7 and 8 (at 25 deg C) and 726 at both pH 9 and 10 (at 25 deg C), respectively which does not exceed the bio concentration threshold of 2000, indicating that the chemical is not expected to bioaccumulate in the food chain.

 

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 substance N-benzyl-N-ethylaniline (CAS no. 92 -59 -1) was estimated to be 94.8 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance N-benzyl-N-ethylaniline is non-bioaccumulative in nature.

 

In a supporting weight of evidence study from authoritative database (J-CHECK, 2017 and Envichem, 2014) for the read across chemical N, N-diethylaniline (CAS no. 91-66-7),bioaccumulation experiment was conducted on test organism Cyprinus carpiofor 8 weeks for evaluating the bioconcentration factor (BCF value) of read across substance N, N-diethylaniline under static conditions. 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". Cyprinus carpio was used as a test organism for the study. HCO-40 was used as a vehicle. Test chemical nominal conc. used for the study were 0.2 mg/l and 0.02 mg/l (w/v), respectively. Range finding study involve the TLm (48 hr) of 16.8 ppm (16.8 mg/l) (w/v) on Rice fish (Oryzias latipes). The bioconcentration factor (BCF value) of substance N, N-diethylaniline on Cyprinus carpio was determined to be 44 and 161 L/Kg at a conc. of 0.2 mg/l and 17 and 125 L/Kg at a conc. of 0.02 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical N, N-diethylaniline is not expected to bioaccumulate in the food chain.

 

For the another read across chemical 1-N,1-N-diethylbenzene-1,4-diamine (CAS no. 93-05-0) from authoritative database (HSDB, 2017), bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical 1 -N,1 -N-diethylbenzene-1,4 -diamine. The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 2.2 and a regression derived equation. The BCF (bioaccumulation factor) value of 1 -N,1 -N-diethylbenzene-1,4 -diamine was determined to be 11 dimensionless, which exceeds the bioconcentration threshold of 2000, indicating that the chemical 1 -N,1 -N-diethylbenzene-1,4 -diamine is considered to be non-bioaccumulative in aquatic organisms.

 

On the basis of above results for target chemicalN-benzyl-N-ethylaniline(from EPI suite, secondary source, ACD labs,ChemSpider, SciFinder database and CompTox Chemistry Dashboard,  2017) and for its read across substance (from authoritative database HSDB, J-CHECK, 2017 and Envichem, 2014), it can be concluded that the BCF value of test substance N-benzyl-N-ethylaniline ranges from 2.34 – 786.94 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical N-benzyl-N-ethylaniline is not expected to bioaccumulate in the food chain.

Adsorption/desorption

Various predicted data for the target compoundN-benzyl-N-ethylaniline(CAS No. 92-59-1) were reviewed for the adsorption end point which are summarized as below:

 

In a prediction done using the KOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2017) the soil adsorption coefficient i.e Koc value of N-benzyl-N-ethylaniline was estimated to be 5877 L/kg (log Koc=3.7692) by means of MCI method (at 25 deg C).

 

For the target compound N-benzyl-N-ethylaniline(CAS No. 92-59-1) from secondary source (Advisory Board for Environmentally Relevant Existing Substances (BUA), 2000), adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical N-benzyl-N-ethylaniline. The adsorption coefficient (Koc) value was calculated using a Mackay level 1 model. The adsorption coefficient (Koc) value of test substance N-benzyl-N-ethylaniline was estimated to be in the range of 2512 to 6683 (Log Koc value ranges from 3.40 to 3.82), respectively.

 

The Soil Adsorption Coefficient i.e Koc value of test substance N-benzyl-N-ethylaniline (CAS no. 92 -59 -1) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 29.0, 29.4, 34.1, 80.7, 522, 3344, 7788, 8989, 9129 and 9144 (log Koc = 0) at pH 0, 1, 2, 3, 4, 5, 6, 7, 8 and 9 & 9145 at pH range 10-14 (log Koc value ranges from 1.5 ± 1.0 to 4.0 ± 1.0), respectively(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017).

 

In an another prediction done by using ChemSpider Database (2017), theSoil Adsorption Coefficient i.e Koc value of test substance N-benzyl-N-ethylaniline (CAS no. 92 -59 -1) was estimated. The adsorption coefficient (Koc) value of test substance N-benzyl-N-ethylaniline was estimated to be 3633.89 (Log Koc = 3.56) and 5595.99 (Log Koc = 3.747) at pH 5.5 and 7.4, respectively.

 

Additional soil adsorption coefficient i.e Koc value of test chemicalN-benzyl-N-ethylaniline (CAS No. 92 -59 -1)was estimated using the SciFinder database (American Chemical Society (ACS), 2017).The soil adsorption coefficient i.e Koc value of N-benzyl-N-ethylaniline was estimated to be 12.5, 14.5, 34.3, 222, 1420, 3310 and 3820 at pH 1, 2, 3, 4, 5, 6 and 7 & 3880 at pH range 8-10 (at 25 deg C) (log Koc value ranges from 1.096 to 3.588), respectively.

 

On the basis of above overall results for target chemicalN-benzyl-N-ethylaniline(from EPI suite, secondary source, ACD labs,ChemSpider, SciFinder database and CompTox Chemistry Dashboard,2017), it can be concluded that the Koc value of test substanceN-benzyl-N-ethylanilineranges from 12.5 to 9144 indicating that the test chemicalN-benzyl-N-ethylanilinehas a strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.