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EC number: 271-114-8 | CAS number: 68515-88-8
Endpoint summary
Administrative data
Description of key information
Biodegradation in water
Biodegradability of Pentene, 2,4,4-trimethyl-, sulfurized (CAS no. 68515 -88 -8) is predicted using QSAR toolbox version 3.3 with logKow as the primary descriptor (2017). Test substance undergoes 24.6% degradation by BOD in 28 days.Thus, based on percentage degradation, the test chemical Pentene, 2,4,4 -trimethyl-, sulfurized was estimated to be not readily biodegradable in water. But as the percentage degradation of the chemical is greater than 20% (i.e reported as 24.6%), chemical can be considered as inherently 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 Pentene, 2,4,4-trimethyl-, sulfurized (CAS No. 68515 -88 -8). If released in to the environment, 16.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Pentene, 2,4,4-trimethyl-, sulfurized in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is moderate to high whereas the half-life period of Pentene, 2,4,4-trimethyl-, sulfurized in sediment is estimated to be 541.66 days (13000 hrs). Based on this half-life value, it indicates that the chemical Pentene, 2,4,4-trimethyl-, sulfurized is persistent in sediment.
Biodegradation in soil
The half-life period of Pentene, 2,4,4 -trimethyl-, sulfurized (CAS No. 68515 -88 -8) 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, 72.3% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of Pentene, 2,4,4-trimethyl-, sulfurized in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of Pentene, 2,4,4-trimethyl-, sulfurized, 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 (v3.00) model of EPI suite, the estimated bio concentration factor (BCF) for Pentene, 2,4,4-trimethyl-, sulfurized is 128.1 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.
Adsorption / desorption:
The Soil Adsorption Coefficient i.e Koc value of Pentene, 2,4,4-trimethyl-, sulfurized was estimated using EPI suite KOCWIN Program (v2.00) as Koc 106700 L/kg (log Koc = 5.028) by means of MCI method at 25 deg.C. This Koc value indicates that the substance Pentene, 2,4,4-trimethyl-, sulfurized has a very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater
Additional information
Biodegradation in water
2 predicted data for the target compound Pentene, 2,4,4-trimethyl-, sulfurized (CAS no. 68515-88-8) and the total 2 weight of evidence studies (from authoritative database) for its closest read across substance with logKow as the primary descriptor were reviewed for the biodegradation end point which are summarized as below:
In a predicted data done by SSS (2017) using QSAR toolbox version 3.3 with logKow as the primary descriptor, percentage biodegradability of test chemical 4 Pentene, 2,4,4-trimethyl-, sulfurized (CAS no. 68515-88-8) was estimated. Test substance undergoes 24.6% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical Pentene, 2,4,4 -trimethyl-, sulfurized was estimated to be not readily biodegradable in water. But as the percentage degradation of the chemical is greater than 20% (i.e reported as 24.6%), chemical can be considered as inherently biodegradable in nature.
In another prediction using the Estimation Programs Interface Suite (EPI suite, 2017), the biodegradation potential of the test compound Pentene, 2,4,4-trimethyl-, sulfurized (CAS no. 68515-88-8) 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 Pentene, 2,4,4 -trimethyl-, sulfurized is expected to be not readily biodegradable.
Biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance tridodecyl trithiophosphite (CAS no. 1656 -63 -9) (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 test substance was determined to be 0% and 23% by BOD and GC parameter in 28 days. Thus, based on percentage degradation, tridodecyl trithiophosphite is considered to be not readily biodegradable in nature. But as the percentage degradation of the chemical is greater than 20% (i.e reported as 23% by GC parameter), chemical can be considered as inherently 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 2,6,10,15,19,23 -hexamethyltetracosane (CAS no. 111 -01 -3) (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 test substance was determined to be 36% and 51% by BOD and GC parameter in 28 days. Thus, based on percentage degradation, 2,6,10,15,19,23 -hexamethyltetracosane is considered to be not readily biodegradable in water. But as the percentage degradation of the chemical is greater than 20% (i.e reported as 36% and 51%), chemical can be considered as inherently biodegradable in nature.
On the basis of above results for target chemicalPentene, 2,4,4-trimethyl-, sulfurized (from OECD QSAR toolbox version 3.3 and EPI Suite) and for its read across substance (from authoritative database J-CHECK), it can be concluded that the test substance Pentene, 2,4,4-trimethyl-, sulfurized can be expected to be inherently 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 Pentene, 2,4,4-trimethyl-, sulfurized (CAS No. 68515 -88 -8). If released in to the environment, 16.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Pentene, 2,4,4-trimethyl-, sulfurized in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is moderate to high whereas the half-life period of Pentene, 2,4,4-trimethyl-, sulfurized in sediment is estimated to be 541.66 days (13000 hrs). Based on this half-life value, it indicates that the chemical Pentene, 2,4,4-trimethyl-, sulfurized is persistent in sediment.
Biodegradation in soil
The half-life period of Pentene, 2,4,4 -trimethyl-, sulfurized (CAS No. 68515 -88 -8) 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, 72.3% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of Pentene, 2,4,4-trimethyl-, sulfurized in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of Pentene, 2,4,4-trimethyl-, sulfurized, 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 Pentene, 2,4,4-trimethyl-, sulfurized can be considered to be inherently biodegradable in nature.
Bioaccumulation: aquatic / sediment:
From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for Pentene, 2,4,4-trimethyl-, sulfurized is 128.1 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that chemical Pentene, 2,4,4-trimethyl-, sulfurized is not expected to be bioaccumulative in fish and the food chain.
Adsorption / desorption:
Two predicted studies from validated prediction models for adsorption endpoint for test chemical Pentene, 2,4,4-trimethyl-, sulfurized (Cas no. 68515-88-8) were reviewed as follows:
First predicted report from EPI suite KOCWIN Program (v2.00), which indicate the Soil Adsorption Coefficient i.e Koc value estimated as Koc 106700 L/kg (log Koc = 5.028) by means of MCI method at 25 deg.C. This Koc value indicates that the substance Pentene, 2,4,4-trimethyl-, sulfurized has a very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater.
And another supporting evidence from Chemspider - ACD/PhysChem Suite suggest the soil adsorption coefficient i.e Koc value of test substance Pentene, 2,4,4-trimethyl-, sulfurized was estimated to be 10000000 (log koc-7) at pH 5.5 and pH 7.4 and temp.25 deg.C .Koc values at different pH indicates that the substance Pentene, 2,4,4-trimethyl-, sulfurized has very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater.
Both predicted adsorption (log Koc) values is in the range of 5.028-7 which gives the common conclusion as test chemical Pentene, 2,4,4-trimethyl-, sulfurized (Cas no. 68515-88-8) is expected to be immobile in soil and sediment compartment.
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