N-ethyl-p-methoxy-α-methylphenethylamine

Endpoint summary

Description of key information

Biodegradation:

Biodegradation in water:

Biodegradation in water of test chemical N-ethyl-p-methoxy-α-methylphenethylamine( CAS no. 14367-73-5)  was done by using experimental data from read across chemicals in all the studies of read  across chemical showed that percent biodegradability of test chemical is greater than 70 % . on the basis of percent biodegradability it is concluded that test chemical N-ethyl-p-methoxy-α-methylphenethylamine is readily biodegradable in nature.

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 compoundN-ethyl-1-(4-methoxyphenyl)propan-2-amine(CAS No. 14367 -46 -7). If released in to the environment, 18 % 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 low whereas the half-life period of test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine in sediment is estimated to be 337.5 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 2 % (i.e, reported as 1.04 %), indicates that test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine is not persistent in sediment.

Biodegradation in Soil:

The half-life period of test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine (CAS No.14367 -46 -7) 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, 80.9 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-aminein soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine, 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 N-ethyl-1-(4-methoxyphenyl)propan-2-amine (CAS No. 14367-46-5) is 32.36 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine is non bioaccumulative in food chain.

Transport and distribution:

Adsorption/desorption:

The Soil Adsorption Coefficient i.e Koc value of test substance N-ethyl-1-(4-methoxyphenyl)propan-2-amine(CAS no. 14367 -46 -5) 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 1.78 - 476 (log Koc= 0.2504 -2.6776). By considering log Koc value of pH 7 which is log Koc =0 indicates that the test substance N-ethyl-1-(4-methoxyphenyl)propan-2-amine has a negligible sorption to soil and therefore has rapid migration potential to groundwater.

Additional information

Biodegradation:

Biodegradation in water:

Biodegradation in water of test chemical was predicted for N-ethyl-p-methoxy-α-methylphenethylamine using data from structurally and functionally similar read across chemicals. The studies are as mentioned below:

 

First biodegradation study 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 inoculum. 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 next study the biodegradation experiment was performed for test chemical by using Beauveria bassiana (ATCC 7 159) fungus as inoculums for 3 days following procedure was used in this experiment.5 ml of T1 medium were seeded with the microorganism and incubated for 4 days at 30°C. The biomass was suspended in 4 ml of T3 medium and 2 ml of this suspension was inoculated in 50 ml of the same medium and shaken at 180 rpm for 24 h at 30°C. 5 ml of this culture was inoculated in 50 ml of fresh T3 medium and incubated for 3 days in the same conditions. 3 ml of the content of the flask was transferred in 50 ml of MPGB medium and shaken at 180 rpm at 30°C for 24 h. At this point 50 mg of solid substrates4-methoxyphenylacetone

was added and the mixture stirred at 180 rpm for 72 h at 30°C.The test chemical undergoes 28 % degradation by considering degradative oxidation as parameter and Beauveria bassiana (ATCC 7159) as inoculums in 3 days. On the basis of percent degradability value it can be concluded that test chemical is readily biodegradable.

 

In last study the biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of test substance. The study was performed according to OECD Guideline 301C “Ready biodegradability: Modified MITI Test (I)” under aerobic conditions. Activated sludge was used as a test inoculum. Sludge and surface water including surface soil were collected from ten different places in Japan which includes water treatment plants, rivers, lake and inner bays. These sludge and water/soil were mixed and cultivated with glucose and peptone as nutrient in a testing laboratory. 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. Aniline was used as a reference substance for the study. Portion of the test solution was taken out followed by the centrifuge separation. Then, the supernatant solution was employed for the quantitative analysis for HPLC and TOC. BOD was continuously measured by BOD analysis over 14 days. Direct analysis by HPLC and TOC analysis were conducted after 28 days. The percentage degradation of test substance was determined to be 99, 98 and 100% by BOD, TOC removal and HPLC parameter in 28 days. Thus, based on percentage degradation, test chemical is considered to be readily biodegradable in nature.

 

By considering results of all the studies mentioned above it can be concluded that test chemical N-ethyl-p-methoxy-α-methylphenethylamine is expected to be readily biodegradable in nature.

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 compoundN-ethyl-1-(4-methoxyphenyl)propan-2-amine(CAS No. 14367 -46 -7). If released in to the environment, 18 % 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 low whereas the half-life period of test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine in sediment is estimated to be 337.5 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 2 % (i.e, reported as 1.04 %), indicates that test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine is not persistent in sediment.

Biodegradation in Soil:

The half-life period of test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine (CAS No.14367 -46 -7) 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, 80.9 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-aminein soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine, 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:

Various predicted data studies for target chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine (CAS No. 14367-46-5) and experimental study for its structurally similar read across chemical have been reviewed for bioaccumulation endpoint and their results are summarized below.

The first prediction was done by using BCFBAF Program (v3.00) model of Estimation Program Interface (EPI, suite 2018) in this study the bio concentration factor (BCF) for test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine (CAS No. 14367-46-5) estimated to be 32.36 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine is non bioaccumulative in food chain.

Next prediction was done by using Bio-concentration Factor (v12.1.0.50374) module of Advanced Chemistry Development /I-lab predictive module in this study Bio-concentration Factor of the chemica lN-ethyl-1-(4-methoxyphenyl)propan-2-amine (CAS no.14367 -46 -5) estimated to be 1.0 dimensionless at range pH 0-8 and in range  from 1.14 to 38.6 dimensionless at range pH 9-14. These BCF values indicate that the chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine is non-bioaccumulative in aquatic organisms as this value does not exceed 2000 criteria.

Further the Bioconcentration factor (BCF) for test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine (CAS No: 14367-46-5) was predicted in aquatic organisms by Scifinder database at pH 1-10 and temperature 25 °C .The Bioconcentration factor (BCF) of test substance N-ethyl-1-(4-methoxyphenyl)propan-2-amine at pH 1-8 and temperature 25 °C was estimated to be 1.0 dimensionless.  

Similarly one more predicted data study was reviewed from Chemspider- ACD/PhysChem Suite in this study the Bioconcentration factor (BCF) of test substance N-ethyl-1-(4-methoxyphenyl)propan-2-amine at pH 5.5 and pH 7.4 was estimated to be 1.0 dimensionless. This BCF value suggests that the test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine is non bioaccumulative in aquatic organisms.

Next study was experimental study done from authoritative database in this study the BCF value of test chemical was estimated is 3.0 dimensionless by using log Kow of 1.74 and recommended regression derived equation and it is far less than 2000 criteria so it is concluded that test chemical is non bioaccumulative.

By considering results of all the studies mentioned above it can be concluded that BCF value of test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine (CAS No. 14367-46-5) is in range of 1.0 to 38.6 dimensionless. This range BCF value indicates that test chemical is expected to be non-bioaccumulative in nature.

Transport and distribution:

Adsorption/desorption:

Various predicted data studies for target chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine (CAS No. 14367-46-5) and experimental study for its structurally similar read across chemical have been reviewed for adsorption endpoint and their results are summarized below.

In first predicted data study the Soil Adsorption Coefficient i.e Koc value of test substance N-ethyl-1-(4-methoxyphenyl)propan-2-amine(CAS no. 14367 -46 -5) was estimated using Adsorption Coefficient module (v12.1.0.50374) program of Advanced Chemistry Development /I-lab predictive module 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 1.78 - 476 (log Koc= 0.2504 -2.6776). By considering log Koc value of pH 7 which is log Koc =0 indicates that the test substanceN-ethyl-1-(4-methoxyphenyl)propan-2-aminehas a negligible sorption to soil and therefore has rapid migration potential to groundwater.

Next study was done by using Sci Finder database the soil adsorption co-efficient i.e., Koc value of test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine(CAS no. 14367-46-5) 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 2.31, 18.2 and 141 dimensionless (Log koc = 0.3636,1.2600, 2.1492) respectively at temperature 25 deg.c. these log Koc values suggest that this test chemical has negligible to slow sorption to soil and sediments and therefore has rapid to moderate migration potential to ground water.

Another prediction was done by Using Chemspider-ACD/Phy chem suite the soil adsorption co-efficient i.e., Koc value of test substance N-ethyl-1-(4-methoxyphenyl)propan-2-amine (CAS no. 14367 -46 -5) was estimated to be 1.0 dimensionless (log Koc= 0) at pH 5.5 and pH 7.4 and temperature 25 deg.C This Koc value at different pH indicates that the chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine has  negligible sorption to soil and sediments and therefore has rapid migration potential to ground water.

Last study was experimental study done by SSS, 2018 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 has negligible sorption to soil and sediment and therefore has rapid migration potential to ground water.

By considering results of all the studies mentioned above it can be concluded that log Koc value of test chemical N-ethyl-1-(4-methoxyphenyl)propan-2-amine (CAS No. 14367-46-5)is 0.0 dimensionless. This log koc value indicates that test chemical has negligible sorption to soil and sediment and therefore has rapid migration potential to ground water.