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EC number: 239-816-9 | CAS number: 15721-78-5
Endpoint summary
Administrative data
Description of key information
Stability:
Hydrolysis:
On the basis of the results of both the studies mentioned above and applying the weight of evidence approach, the half life of hydrolysis of test chemical can be estimated to be 13 years at pH 7 pH on the basis of this value it can be concluded that the test chemical is not hydrolysable.
Biodegradation:
Biodegradation in water:
Estimation Programs Interface Suite (EPI suite, 2018) was run to predict the biodegradation potential of the test chemical 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 is expected to be not 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. If released in to the environment, 6.32% 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 180 days ( 4320 hrs). The half-life (180 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is high whereas the half-life period of test chemical in sediment is estimated to be 1620.833 days (38900 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.581 %), indicates that test chemical is not persistent in sediment.
Biodegradation in Soil:
The half-life period of test chemical 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, 93.1 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical in soil is estimated to be 360 days ( 8640 hrs). Based on this half-life value of test chemical, it is concluded that the chemical is persistent in the soil environment and the exposure risk to soil dwelling animals is high.
Bioaccumulation:
Bioaccumulation: aquatic/sediments:
Using Bio-concentration Factor (v12.1.0.50374) module the Bio-concentration Factor of the test chemical was estimated to be >1000000 dimensionless at pH range 3-14. This value indicates that the chemical is bioaccumulative in aquatic organisms as this value exceeds 2000 criteria of CLP regulation.
Transport and distribution:
Adsorption/dessorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 2.346e+006 L/kg (log Koc= 6.3703) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical has very strong sorption to soil and therefore test chemical has negligible migration potential to ground water.
Additional information
Stability:
Hydrolysis:
Two studies have been reviewed to determine the hydrolysis reaction of the test chemical. The studies are as mentioned below:
The first study was reviewed from authoritative database (HSDB) in this the half-life and base catalyzed hydrolysis rate constant of the test chemical was estimated using structure estimation method. The based catalyzed hydrolysis rate constant of test chemical was determined to be 0.016 L/mol-sec, respectively with a corresponding half-lives of 13 and 1.3 years at pH 7 and 8, respectively. Based on the half-life values, it is concluded that the chemical is not hydrolysable.
Another study was reviewed fom authoritative database (HSDB) in this study it is mentioned that the test chemical is resistant to aqueous environmental hydrolysis , i.e., test chemical is not hydrolyasble.
On the basis of the results of both the studies mentioned above and applying the weight of evidence approach, the half life of hydrolysis of test chemical can be estimated to be 13 years at pH 7 pH on the basis of this value it can be concluded that the test chemical is not hydrolysable.
Biodegradation:
Biodegradation in water:
Various studies have been reviewed for test chemical and its read across chemical for biodegradation endpoint and their results are summarized below.
In first study the Estimation Programs Interface Suite (EPI suite, 2018) was run to predict the biodegradation potential of the test chemical 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 is expected to be not readily biodegradable.
Next study was reviewed from authoritative database ( J check) in this study the Biodegradation experiment was carried out of test chemical by taking activated sludge as inoculums at 30 mg/L concentration for 28 days. Biodegradation was analyzed by using three parameters that are BOD and test material analysis by GC .The initial concentration of test chemical was 100 mg/L. After 4 weeks of incubation Percent biodegradation of test chemical was observed to be 22 % by BOD (O2 consumption) parameter, 28 % by TOC removal parameters and 74 % by test material analysis by HPLC parameter in 28 days. By considering % degradation value of BOD parameter it is concluded that test chemical is not readily biodegradable.
Another study was also reviewed from J check in this study the Biodegradation experiment was conducted for test chemical by taking activated sludge as inoculums at 30 mg/L concentration for 28 days. Biodegradation was analyzed by using two parameters that are BOD and test material analysis by GC .The initial concentration of test chemical was 100 mg/L. After 4 weeks of incubation Percent biodegradation of test chemical was observed to be 0.0 % by BOD (O2 consumption) parameter and < 0.0 % by test material analysis by GC parameter in 28 days. On the basis of percent degradation value it is concluded that test chemical is not readily biodegradable.
By considering results of all the studies mentioned above it can be concluded that test chemical is not 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. If released in to the environment, 6.32% 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 180 days ( 4320 hrs). The half-life (180 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is high whereas the half-life period of test chemical in sediment is estimated to be 1620.833 days (38900 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.581 %), indicates that test chemical is not persistent in sediment.
Biodegradation in Soil:
The half-life period of test chemical 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, 93.1 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical in soil is estimated to be 360 days ( 8640 hrs). Based on this half-life value of test chemical, it is concluded that the chemical is persistent in the soil environment and the exposure risk to soil dwelling animals is high.
Bioaccumulation:
Bioaccumulation: aquatic/sediments:
Various studies have been reviewed for test chemical and its read across chemical for Bioaccumulation endpoint and their results are summarized below.
In first study Using Bio-concentration Factor (v12.1.0.50374) module the Bio-concentration Factor of the test chemical was estimated to be >1000000 dimensionless at pH range 3-14.
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 was estimated to be 6140 dimensionless . The predicted BCF result was based on the 5 OECD principles
Last study was reviewed from authoritative database (HSDB) in this study the BCF value of test chemical estimated was 6000 dimensionless by using log Kow of 5.28 and regression derived equation and it is more than 2000 criteria of CLP regulation. On the basis of calculated BCF value it is concluded that chemical is bioaccumulative in aquatic organisms.
By considering results of all the studies mentioned above the BCF value of test chemical can be in range 6140-1000000. This range BCF value indicates that the test chemical is very bioaccumulative in nature.
Transport and distribution:
Adsorption/dessorption:
Various studies have been reviewed for test chemical and its read across chemical for adsorption coefficient endpoint and their results are summarized below.
In first study the the Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 2.346e+006 L/kg (log Koc= 6.3703) by means of MCI method at 25 deg. C.
In another study the Soil Adsorption Coefficient i.e log Koc value of test substance was estimated using Adsorption Coefficient module (v12.1.0.50374) program as log Koc 6.7 dimensionless at pH range 3 -14.
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 was estimated to be 35900 L/kg (log Koc = 4.5550). The predicted KOC result was based on the 5 OECD principles.
Last study was reviewed from authoritative database (HSDB) in this the adsorption coefficient (Koc) value was calculated using a structure estimation method. The adsorption coefficient (Koc) value of test substance was estimated to be 50,000 (Log Koc = 4.698).
By considering results of all the studies mentioned above the log koc value of test chemical can be in range 4.55 -6.7. This range log Koc value indicates that the test chemical has a very strong sorption to soil and sediment and therefore has negligible migration potential to ground water.
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