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EC number: 244-942-2 | CAS number: 22374-89-6
Endpoint summary
Administrative data
Description of key information
Biodegradation in water
Estimation Programs Interface Suite was run to predict the biodegradation potential of the test compound 1-methyl-3-phenylpropylamine (CAS no. 22374 -89 -6) 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-methyl-3-phenylpropylamine is expected to be not readily biodegradable.
Biodegradation in water and sediment
Estimation Programs Interface prediction model was run to predict the half-life in water and sediment for the test compound 1-methyl-3-phenylpropylamine (CAS No. 22374 -89 -6). If released in to the environment, 24.4% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 1-methyl-3-phenylpropylamine 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 moderate to low whereas the half-life period of 1-methyl-3-phenylpropylamine in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 2% (i.e, reported as 1.15%), indicates that 1-methyl-3-phenylpropylamine is not persistent in sediment.
Biodegradation in soil
The half-life period of 1-methyl-3-phenylpropylamine (CAS No. 22374 -89 -6) in soil was estimated using Level III Fugacity Model by EPI Suite estimation database. If released into the environment, 74% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 1-methyl-3-phenylpropylamine in soil is estimated to be 30 days (720 hrs). Based on this half-life value of 1-methyl-3-phenylpropylamine, 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 of Estimation Programs Interface was used to predict the bioconcentration factor (BCF) of test chemical 1-methyl-3-phenylpropylamine (CAS No. 22374 -89 -6). The bioconcentration factor (BCF) of 1-methyl-3-phenylpropylamine was estimated to be 11.64 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-methyl-3-phenylpropylamine is not expected to bioaccumulate in the food chain.
Adsorption / desorption
The Soil Adsorption Coefficient i.e Koc value of test substance 1-methyl-3-phenylpropylamine (CAS no. 22374 -89 -6) was estimated using Adsorption Coefficient module program as Koc 1, 1.13, 8.52, 68.6, 254, 349, 362 and 364 at pH range 1-7, 8, 9, 10, 11, 12, 13 and 14 respectively (log Koc value ranges from 0 to 2.6 ± 1.0). The Koc value (at pH 7.0) indicates that the substance 1-methyl-3-phenylpropylamine has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Additional information
Biodegradation in water
Predicted data for the target compound 1-methyl-3-phenylpropylamine (CAS No. 22374-89-6) and various supporting weight of evidence studies for its 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 (2018), the biodegradation potential of the test compound1-methyl-3-phenylpropylamine(CAS No. 22374-89-6) 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 chemical1-methyl-3-phenylpropylamineis expected to be not readily biodegradable.
For the test chemical, 28 -days Closed Bottle test following the OECD guideline 301 D to determine the ready biodegradability of the test item (2017). The test system included control, test item and reference item. The concentration of test and reference item (Sodium Benzoate) chosen for both the study was 4 mg/L, while that of inoculum was 32 ml/l. ThOD (Theoretical oxygen demand) of test and reference item was determined by calculation. % Degradation was calculated using the values of BOD and ThOD for test item and reference item. The BOD28 value of test substance was observed to be 0.45 mgO2/mg. ThOD was calculated as 1.87 mgO2/mg. Accordingly, the % degradation of the test item after 28 days of incubation at 20 ± 1°C according to Closed Bottle test was determined to be 24.06%. Based on the results, the test item, under the test conditions was considered to be not readily biodegradable at 20 ± 1°C over a period of 28 days.
In a supporting weight of evidence study from authoritative database (2017) for the test chemical,biodegradation experiment in refinery wastewater was conducted for 23 days for evaluating the percentage biodegradability of test substance. The study was performed under aerobic conditions using natural microbial flora as a test inoculum. The percentage degradation of test substance was determined to be 0% after a period of 23 days. Thus, based on percentage degradation, test item is considered to be not readily biodegradable in nature.
On the basis of above results for target chemical 1-methyl-3-phenylpropylamine (from modelling database, 2018), it can be concluded that the test substance 1 -methyl-3 -phenylpropylamine can be expected to be not readily biodegradable in nature.
Biodegradation in water and sediment
Estimation Programs Interface prediction model was run to predict the half-life in water and sediment for the test compound 1-methyl-3-phenylpropylamine (CAS No. 22374 -89 -6). If released in to the environment, 24.4% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 1-methyl-3-phenylpropylamine 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 moderate to low whereas the half-life period of 1-methyl-3-phenylpropylamine in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 2% (i.e, reported as 1.15%), indicates that 1-methyl-3-phenylpropylamine is not persistent in sediment.
Biodegradation in soil
The half-life period of 1-methyl-3-phenylpropylamine (CAS No. 22374 -89 -6) in soil was estimated using Level III Fugacity Model by EPI Suite estimation database. If released into the environment, 74% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 1-methyl-3-phenylpropylamine in soil is estimated to be 30 days (720 hrs). Based on this half-life value of 1-methyl-3-phenylpropylamine, 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 1-methyl-3-phenylpropylamine can be considered to be not readily biodegradable in nature.
Bioaccumulation: aquatic / sediment
Various predicted data for the target compound 1-methyl-3-phenylpropylamine (CAS No. 22374-89-6) and supporting weight of evidence study for its structurally and functionally similar read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In aprediction done using theBCFBAF Programof Estimation Programs Interface was used to predict the bioconcentration factor (BCF) of test chemical 1-methyl-3-phenylpropylamine (CAS No. 22374 -89 -6). The bioconcentration factor (BCF) of 1-methyl-3-phenylpropylamine was estimated to be 11.64 L/kg whole body w.w (at 25 deg C).
In an another prediction done by using Bio-concentration Factor module(2017), theBio-concentration Factor (BCF) over the pH scale of the test substance 1-methyl-3-phenylpropylamine (CAS no. 22374 -89 -6) was estimated to be 1, 5.01, 18.5, 25.5, 26.4 and 26.5 at pH range 1-9, 10, 11, 12, 13 and 14, respectively.
Bioconcentration Factor (BCF) of test chemical 1-methyl-3-phenylpropylamine was estimated using Chemspider database(2017). The bioconcentration factor of test substance 1-methyl-3-phenylpropylamine was estimated to be 1 at pH both 5.5 and 7.4, respectively.
Another predicted data was estimated usingSciFinder database (2017) was used for predicting the bioconcentration factor (BCF) of test chemical 1-methyl-3-phenylpropylamine (CAS No. 22374 -89 -6). The bioconcentration factor (BCF) of 1-methyl-3-phenylpropylamine was estimated to be 1 and 5.83 at pH range 1-9 & 10, respectively (at 25 deg C).
In a supporting weight of evidence study from authoritative database (2017) for the test item, bioaccumulation experiment in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a logKow of 1.76 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of of test chemical was determined to be 7.0 dimensionless.
For the test chemical,bioaccumulation study in Lepomis macrochirus (bluegill fish) was conducted for determining the BCF (bioaccumulation factor) value of test chemical (authoritative database, 2017).The study was performed under flow through conditions. The BCF (bioaccumulation factor) value of test substance was determined to be 35 dimensionless.
On the basis of above results for target chemical 1-methyl-3-phenylpropylamine (from modelling databases, 2017), it can be concluded that the BCF value of test substance 1-methyl-3-phenylpropylamine ranges from 1 –26.5 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 1 -methyl-3 -phenylpropylamine is not expected to bioaccumulate in the food chain.
Adsorption / desorption
Various predicted data for the target compound 1-methyl-3-phenylpropylamine (CAS No. 22374-89-6) were reviewed for the adsorption end point which are summarized as below:
The Soil Adsorption Coefficient i.e Koc value of test substance 1-methyl-3-phenylpropylamine (CAS no. 22374 -89 -6) was estimated using Adsorption Coefficient module program as Koc 1, 1.13, 8.52, 68.6, 254, 349, 362 and 364 at pH range 1-7, 8, 9, 10, 11, 12, 13 and 14 respectively (log Koc value ranges from 0 to 2.6 ± 1.0)(2017). The Koc value (at pH 7.0) indicates that the substance 1-methyl-3-phenylpropylamine has a negligible sorption to soil and sediment and therefore have rapid 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 1-methyl-3-phenylpropylamine (CAS no. 22374 -89 -6) was estimated. The adsorption coefficient (Koc) value of test substance 1-methyl-3-phenylpropylamine was estimated to be 1 (Log Koc = 0) at both pH 5.5 and 7.4, respectively. This Koc value indicates that the substance 1-methyl-3-phenylpropylamine has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Additional soil adsorption coefficient i.e Koc value of test chemical1-methyl-3-phenylpropylamine (CAS No. 22374 -89 -6) was estimated using the SciFinder database (2017).The soil adsorption coefficient i.e Koc value of 1-methyl-3-phenylpropylamine was estimated to be 1, 1.26, 9.50 and 76.6 at pH range 1-7, 8, 9 & 10, respectively (at 25 deg C) (log Koc value ranges from 0 to 1.884). The Koc value (at pH 7.0) indicates that the substance 1-methyl-3-phenylpropylamine has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
On the basis of above overall results for target chemical1-methyl-3-phenylpropylamine (from modelling databases,2017), it can be concluded that the Koc value of test substance 1 -methyl-3 -phenylpropylamine was estimated to be 1 (Log Koc = 0) (at pH 7.0) indicating that the test chemical 1 -methyl-3 -phenylpropylamine has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
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