p-anisylamine

Endpoint summary

Description of key information

Stability:

Hydrolysis:

According to annex VIII column 2 the study does not need to be conducted because the substance 4-methoxybenzyl amine is readily biodegradable.

Biodegradation:

Biodegradation in water:

Estimation Programs Interface Suite (EPI suite, 2018) was run to predict the biodegradation potential of the test compound 4-Methoxybenzylamine (CAS no. 2393 -23 -9) 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 Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical 4-Methoxybenzylamine is expected to be readily biodegradable.

Biodegradation in water and sediments:

Estimation Programs Interface (EPI Suite, 2018) prediction model was run to predict the half-life in water and sediment for the test compound 4-Methoxybenzylamine (CAS No. 2393 -23 -9). If released in to the environment, 23.1% 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 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 low whereas the half-life period of test chemical 4-Methoxybenzylamine 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 0.2 %), indicates that test chemical 4-Methoxybenzylamine is not persistent in sediment.

Biodegradation in soil:

The half-life period of test chemical 4-Methoxybenzylamine (CAS No.2393 -23 -9) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2018). If released into the environment, 76.4 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 4-Methoxybenzylamine in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical 4-Methoxybenzylamine, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is low.

Bioaccumulation:

Bioaccumulation: aquatic/sediments:

Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for 4-Methoxybenzylamine (CAS No. 2393-23-9) is 2.66 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 4-Methoxybenzylamine is non bioaccumulative in food chain.

Transport and distribution:

Adsorption/desorption:

The Soil Adsorption Coefficient i.e. Koc value of test chemical 4-Methoxybenzylamine (CAS No. 2393-23-9) was estimated using EPI suite KOCWIN Program (v2.00) as 175.2 L/kg (log Koc= 2.2434 by means of MCI method at 25 deg. C.  This log Koc value indicates that test chemical 4-Methoxybenzylamine has low sorption to soil and therefore test chemical has moderate migration potential to ground water.

Additional information

Stability:

Hydrolysis:

According to annex VIII column 2 the study does not need to be conducted because the substance 4-methoxybenzyl amine is readily biodegradable.

Biodegradation:

Biodegradation in water:

Predicted data study for target chemical 4-Methoxybenzylamine (CAS no. 2393 -23 -9) and experimental studies for its structurally similar read across chemical have been reviewed for biodegradation endpoint and their results are summarized below.

In first weight of evidence study the Estimation Programs Interface Suite (EPI suite, 2018) was run to predict the biodegradation potential of the test compound 4-Methoxybenzylamine (CAS no. 2393 -23 -9) 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 Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical  4-Methoxybenzylamine is expected to be readily biodegradable.

Further to support predicted data experimental study was reviewed from journal in this study the Biodegradation experiment was conducted for 20 days for evaluating the percentage biodegradability of test substance . Bacteria were used as an inoculum. Microbial inoculum was isolated from Hudson Collamer silt loam. The test was performed under aerobic conditions at a temperature of 25ᵒC, respectively. The chemicals were introduced into the BOD bottles as sole carbon sources at a concentration of 2 mg of carbon per bottle. The compounds were added in acetone solutions, and the acetone was evaporated prior to the addition of O2-saturated water. Each bottle received 5 mg of Hudson Collamer silt loam as a source of the microbial linoculum. The bottles were filled with the air-saturated salts solution and closed with glass stoppers. Bottles containing O2 saturated water inoculated with soil (as a source of microbial inoculum) but no carbon source were also included in the study to account for the O2 depletion resulting from microbial oxidation of organic matter and ammonium. Test compound was also tested in combination with glucose (both at a conc. of 2 mg of carbon per bottle) to test whether the possible lack of biodegradation was a result of toxicity of the test chemical. Dissolved O2 in the bottles was measured at regular intervals using a Yellow Spring Instrument Co. oxygen analyzer, Model 53.The instrument was calibrated with the salts solution, theO2content of which was determined by the Alsterberg modification of the Winkler method. At regular intervals, the dissolved O2 in the samples was measured after calibrating the instrument with a BOD bottle containing inoculated 02-saturated water supplemented with 0.1% KCN. The solutions in bottles showing O2 depletion were used to obtain microorganisms capable of utilizing the substrate. Based on appreciable degradation of test chemical after only a few days, test chemical is considered to be biodegradable in nature.

In another experimental study the biodegradation experiment was conducted for evaluating the percentage biodegradability of test substance. The study was performed according to OECD Guideline 302 B (Inherent biodegradability: Zahn-Wellens/EMPA Test).The test substances were prepared from stock solutions in added to such amounts that DOC concentrations of 50 – 400 mg/l or COD concentrations of 200 - 1000 mg/l were obtained. Duration of acclimatization phase (Time from test start to observable degradation) is 2 days and duration of the logarithmic degradation phase was 4 days. Activated sludge was used as an inoculum. The inoculum was extracted from the biological purification plant of the of HÖCHST 's work and is calculated in such a way that in the test batch 1.1 ± 0.1 g/l activated sludge dry substance (BTS) were included. The percentage degradation of test substance was determined to be100% degradation by DOC removal parameter in 6 days. Thus, based on percentage degradation, test chemical is considered to be readily biodegradable in nature.

On the basis of all the studies mentioned above it can be concluded that test chemical 4-Methoxybenzylamine (CAS no. 2393 -23 -9) is expected to be readily biodegradable.

Biodegradation in water and sediments:

Estimation Programs Interface (EPI Suite, 2018) prediction model was run to predict the half-life in water and sediment for the test compound 4-Methoxybenzylamine (CAS No. 2393 -23 -9). If released in to the environment, 23.1% 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 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 low whereas the half-life period of test chemical 4-Methoxybenzylamine 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 0.2 %), indicates that test chemical 4-Methoxybenzylamine is not persistent in sediment.

Biodegradation in soil:

The half-life period of test chemical 4-Methoxybenzylamine (CAS No.2393 -23 -9) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2018). If released into the environment, 76.4 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 4-Methoxybenzylamine in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical 4-Methoxybenzylamine, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is low.

Bioaccumulation:

Bioaccumulation: aquatic/sediments:

Predicted data studies for target chemical 4-Methoxybenzylamine (CAS No. 2393-23-9) have been conducted from different sources for bioaccumulation endpoint and their results are summarized below.

The first predicted data study was done by using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for 4-Methoxybenzylamine (CAS No. 2393-23-9) is 2.66 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 4-Methoxybenzylamine is non bioaccumulative in food chain.

Next study was done by using Bio-concentration Factor (v12.1.0.50374) module in this study the Bio-concentration Factor of the chemical 4-Methoxybenzylamine (CAS no.2393 -23 -9) estimated to be 1.0 dimensionless at range pH 0-8 and in range from 1.14 to 3.41 dimensionless at range pH 9-14. These BCF values indicate that the chemical 4-Methoxybenzylamine is non-bioaccumulative in aquatic organisms as this value does not exceed 2000 criteria.

In another predicted data study the Bioconcentration factor (BCF) for test chemical 4-Methoxybenzylamine (CAS No: 2393-23-9) was predicted in aquatic organisms by using modeling database at pH 1-10 and temperature 25 °C . The Bioconcentration factor (BCF) of test substance 4-Methoxybenzylamine at pH 1-8 and temperature 25 °C was estimated to be 1.0 dimensionless.  This BCF value at pH 1-8 and temperature 25 °C suggests that the test chemical 4-Methoxybenzylamine is non bioaccumulative in aquatic organisms.

Further The Bioconcentration factor (BCF) for test chemical 4-Methoxybenzylamine (CAS No: 2393 -23 -9) was predicted in aquatic organisms by Chemspider- ACD/PhysChem Suite at pH 5.5 and pH 7.4.The Bioconcentration factor (BCF) of test substance 4-Methoxybenzylamine at pH 5.5 and pH 7.4 was estimated to be 1.0 dimensionless. This BCF value suggests that the test chemical 4-Methoxybenzylamine is non bioaccumulative in aquatic organisms.

Last predicted data study was done 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 4-Methoxybenzylamine (CAS no. 2393 -23 -9) was estimated to be 5.54 dimensionless .The predicted BCF result was based on the 5 OECD principles.

On the basis of all the studies mentioned above it can be concluded that Bioconcentration Factor of test chemical falls in range from 1.0 to 5.54 dimensionless. This range BCF value indicates that test chemical 4-Methoxybenzylamine (CAS no.2393 -23 -9) in non bioaccumulative in nature.

Transport and distribution:

Adsorption/desorption:

Predicted data studies for target chemical 4-Methoxybenzylamine (CAS No. 2393-23-9) and experimental study for its structurally similar read across chemical have been conducted from different sources for Adsorption endpoint and their results are summarized below.

In first predicted data study the Soil Adsorption Coefficient i.e. Koc value of test chemical 4-Methoxybenzylamine (CAS No. 2393-23-9) was estimated using EPI suite KOCWIN Program (v2.00) as 175.2 L/kg (log Koc= 2.2434 by means of MCI method at 25 deg. C.  

In another predicted data study the Soil Adsorption Coefficient i.e Koc value of test substance 4-Methoxybenzylamine (CAS no. 2393 -23 -9) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1.0 dimensionless (log Koc= 0.0) at pH range 1-7 and at pH range 8-14 Koc value was estimated to be in range 4.04 - 83.8 (log Koc= 0.6063-1.9232).

Next prediction was done by using modeling database the soil adsorption co-efficient i.e., Koc value of test chemical 4-Methoxybenzylamine (CAS no. 2393 -23 -9) at pH range 1-7 was estimated to be 1.0 dimensionless (log Koc = 0.0) and at pH 8, 9 and 10 Koc value was estimated to be 5.52, 38.1 and 95.4 dimensionless (Log Koc = 0.7419, 1.5809, 1.9795) respectively at temperature 25 deg.c

Another prediction was done by using Chemspider-ACD/Phy chem suite the soil adsorption co-efficient i.e., Koc value of test substance 4-Methoxybenzylamine was estimated to be 1.0 dimensionless (log Koc= 0) at pH 5.5 and 1.10 dimensionless (log Koc= 0.0413) at pH 7.4 and temperature 25 deg.C

Last prediction was done 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-Methoxybenzylamine(CAS no. 2393 -23 -9) was estimated to be 46.0 L/kg (log Koc = 1.6627) .The predicted KOC result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 4-Methoxybenzylamine has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.

To support all above prediction experimental study was done in this study 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. The reference substances were chosen according to structural similarity with the test substance and calibration graph prepared. The reference substances were xylene, ethylbenzene and toluene having Koc value ranging from 2.369 to 2.649. The Log Koc value was found to be 1.15385 ± 0.0029 at 25°C. The results indicate that the test chemical is likely to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.

On the basis of all the studies mentioned above it can be concluded that adsorption coefficient of test chemical 4-Methoxybenzylamine (CAS no. 2393 -23 -9) falls in range from 0.00 to 2.2434 dimensionless. This range Koc value at different pH indicates that the chemical 4-Methoxybenzylamine has negligible sorption to soil and sediments and therefore has rapid migration potential to ground water.