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EC number: 255-062-3 | CAS number: 40754-59-4
Endpoint summary
Administrative data
Description of key information
Hydrolysis
HYDROWIN v2.00 program of Estimation Programs Interface (EPI) Suite (2016) prediction model was used to predict the hydrolysis half-life of test compound disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (CAS No. 40754 -59 -4). The estimated half-life of disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate was estimated to be 5.984 yrs and 218.566 days at pH 7 and 8 (at 25 deg C) respectively, indicating that it is not rapidly hydrolysable.
Biodegradation in water
Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the test compound disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate (CAS no. 593 -51 -1) 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 disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate is expected to be readily biodegradable.
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 disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate (CAS No. 40754 -59 -4). If released in to the environment, 26.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate 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 disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of chemical into the sediment is less than 1% (i.e, reported as 0.071%), indicating that the chemical disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate is not persistent in sediment.
Biodegradation in soil
The half-life period of disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate (CAS No. 40754 -59 -4) 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, 73.2% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate in soil is estimated to be 30 days (720 hrs). Based on this half-life value of disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate, 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:
From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate is 70.79 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that chemical 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate is not expected to be bioaccumulative in fish and the food chain.
Adsorption / desorption:
The Soil Adsorption Coefficient i.e Koc value of disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate was estimated using EPI suite KOCWIN Program (v2.00) as Koc 19.61 L/kg (log Koc = 1.292) by means of MCI method at 25 deg.C. This Koc value indicates that the substance disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate has a negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.
Additional information
Hydrolysis
HYDROWIN v2.00 program of Estimation Programs Interface (EPI) Suite (2016) prediction model was used to predict the hydrolysis half-life of test compound disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (CAS No. 40754 -59 -4). The estimated half-life of disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate was estimated to be 5.984 yrs and 218.566 days at pH 7 and 8 (at 25 deg C) respectively, indicating that it is not rapidly hydrolysable.
Biodegradation in water
In different studies, disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (CAS no. 40754-59-4) has been investigated for potential for biodegradation to a greater or lesser extent. These include 1 predicted data for the target compounddisodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oateand the 3 studies (from authoritative database) for its closest read across substance with logKow as the primary descriptor.
The biodegradability of the test substancedisodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate(CAS no. 40754-59-4)was calculated using the Estimation Programs Interface Suite (EPI suite, 2017) 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 disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate is expected to be readily biodegradable.
In a weight of evidence study from authoritative database (J-CHECK, 2016) for read across substance sodium pentadecane-1 -sulphonate (CAS no. 5896 -54 -8),biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of substance sodium pentadecane-1 –sulphonate. 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 read across substance was determined to be 96% degradation by BOD & TOC removal parameter and 100% degradation by HPLC parameter in 28 days. Thus, based on percentage degradation, sodium pentadecane-1 -sulphonate is considered to be readily biodegradable in nature.
Another supporting weight of evidence study of biodegradation was conducted for 28 days for evaluating the percentage biodegradability of read across substance sodium stearate (CAS no. 822 -16 -2) (J-CHECK).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 read across substance was determined to be 83% and 100% by BOD and GC parameter in 28 days. Thus, based on percentage degradation, sodium stearate is considered to be readily biodegradable in nature.
For read across substance bis(2 -(2 -butoxyethoxy)ethyl) adipate (CAS no. 141 -17 -3), biodegradation study was conducted for 14 days (J-CHECK, 2016). 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 read across substance was determined to be 86, 98% and 100% degradation by BOD, TOC removal and HPLC parameter in 14 days. Thus, based on percentage degradation, bis(2 -(2 -butoxyethoxy)ethyl) adipate is considered to be readily biodegradable in nature.
On the basis of above results for target chemical 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate (from EPI Suite) and for its read across substance (from authoritative database J-CHECK), it can be concluded that the test substance 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate can be expected to be 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 disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate (CAS No. 40754 -59 -4). If released in to the environment, 26.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate 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 disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of chemical into the sediment is less than 1% (i.e, reported as 0.071%), indicating that the chemical disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate is not persistent in sediment.
Biodegradation in soil
The half-life period of disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate (CAS No. 40754 -59 -4) 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, 73.2% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate in soil is estimated to be 30 days (720 hrs). Based on this half-life value of disodium 4 -oxo-2 -sulfonato-5,8,11,14 -tetraoxahexacosan-1 -oate, 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 disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate can be considered to be readily biodegradable in nature.
Bioaccumulation: aquatic / sediment:
Two studies including those from validated prediction database and experimental study for bioaccumulation endpoint of target chemical disodium 4-oxo-2-sulfonato-5, 8, 11, 14-tetraoxahexacosan-1-oate (Cas no. 40754-59-4) and relevant read across which is structurally similar to the target chemical are summarized as followed:
First study reports prediction done using the BCFBAF (v3.00) model of EPI Suite program, which indicated the estimated bio concentration factor (BCF) for disodium 4-oxo-2-sulfonato-5, 8, 11, 14-tetraoxahexacosan-1-oate as 70.79 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.
Above prediction for target supported by an experimental study of structurally similar read across bis(2-(2-butoxyethoxy)ethyl) adipate (Cas no. 141-17-3) suggested an estimated BCF of 62 was calculated for bis(2(2butoxyethoxy)ethyl) adipate, using an estimated log Kow of 3.24 and a regression derived equation. This BCF suggests the potential for bioconcentration in aquatic organisms is low. (HSDB database; 2017)
Both values for bioaccumulation is in the range of 62 -70.79 (L/kg or dimensionless) which conclude that the target chemical disodium 4-oxo-2-sulfonato-5, 8, 11, 14-tetraoxahexacosan-1-oate (Cas no. 40754-59-4) is not expected to be bioaccumulative in fish and the food chain.
Adsorption / desorption:
Two studies including those from validated prediction database and experimental study for Adsorption endpoint of target chemical disodium 4-oxo-2-sulfonato-5, 8, 11, 14-tetraoxahexacosan-1-oate (Cas no. 40754-59-4) and relevant read across which is structurally similar to the target chemical are summarized as followed:
First study from prediction model indicate the Soil Adsorption Coefficient i.e Koc value of disodium 4-oxo-2-sulfonato-5,8,11,14-tetraoxahexacosan-1-oate was estimated using EPI suite KOCWIN Program (v2.00) as Koc 19.61 L/kg (log Koc = 1.292) by means of MCI method at 25 deg.C. This Koc value indicates that the substance disodium 4-oxo-2-sulfonato-5, 8, 11, 14-tetraoxahexacosan-1-oate has a negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.
And an experimental study of structurally similar read across bis(2-(2-butoxyethoxy)ethyl) adipate (Cas no. 141-17-3) suggested the Koc of bis(2(2butoxyethoxy)ethyl) adipate is estimated as 1400 (log Koc as 3.14), using an estimated log Kow of 3.24 and a regression derived equation. This estimated Koc value suggests that bis(2(2butoxyethoxy)ethyl) adipate is expected to have moderate mobility in soil. (HSDB database; 2017)
Both values for adsorption (log Koc) is in the range of 1.292 -3.14 (L/kg or dimensionless) which conclude that the target chemical disodium 4-oxo-2-sulfonato-5, 8, 11, 14-tetraoxahexacosan-1-oate (Cas no. 40754-59-4) is expected to have high to moderate mobility in soil and sediment compartment.
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