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EC number: 219-411-3 | CAS number: 2432-87-3
Endpoint summary
Administrative data
Description of key information
Biodegradation:
Biodegradation in water:
The Biodegradation experiment was carried out of test chemical 1,10-dioctyl decanedioate (CAS no. 2432-87-3) by taking activated sludge as inoculums at 30 mg/L concentration for 21 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. The study design was of standard type. After 3 weeks of incubation percent biodegradation of test chemical1,10-dioctyl decanedioate was observed to be 78.2 % by BOD parameter 100 % by test material analysis by GC parameter in 21 days.Therefore it is concluded that test chemical 1,10-dioctyl decanedioate is readily biodegradable.
Biodegradation in water and sediments:
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 1,10-dioctyl decanedioate (CAS No.2432 -87 -3). If released in to the environment, 23 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical 1,10-dioctyl decanedioate 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 test chemical 1,10-dioctyl decanedioate in sediment is estimated to be 135 days (3240 hrs). However as the percent release of test chemical 1,10-dioctyl decanedioate into sediment is less than 1 % (i.e., reported as 0.374% ) indicates that test chemical 1,10-dioctyl decanedioate is not persistant in sediments.
Biodegradation in Soil:
The half-life period of test chemical 1,10-dioctyl decanedioate (CAS No. 2432-87-3) 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, 76 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 1,10-dioctyl decanedioate in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical 1,10-dioctyl decanedioate, 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 / Sediment :
Using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor at range pH 1-14 of the chemical1,10-dioctyl decanedioate (CAS no.2432-87-3) estimated to be 1000000 dimensionless. This value indicates that the chemical1,10-dioctyl decanedioate is very bioaccumulative in aquatic organisms as this value exceeds 5000 criteria.
Transport and distribution:
Adsorption /Desorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical 1,10-dioctyl decanedioate (CAS No. 2432-87-3) was estimated using EPI suite KOCWIN Program (v2.00) as 467700 L/kg (log Koc= 5.6699) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 1,10-dioctyl decanedioate has very strong sorption to soil and therefore have negligible migration potential to ground water.
Additional information
Biodegradation:
Biodegradation in water:
Experimental data and predicted data for the target compound 1,10-dioctyl decanedioate (CAS no. 2432-87-3) and supporting weight of evidence studies for its read across substance were reviewed for the biodegradation end point which are summarized as below:
In a first weight of evidence study the Biodegradation experiment was carried out of test chemical 1,10-dioctyl decanedioate (CAS no. 2432-87-3) by taking activated sludge as inoculums at 30 mg/L concentration for 21 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. The study design was of standard type. After 3 weeks of incubation percent biodegradation of test chemical 1,10-dioctyl decanedioate was observed to be 78.2 % by BOD parameter 100 % by test material analysis by GC parameter in 21 days. Therefore it is concluded that test chemical 1,10-dioctyl decanedioate is readily biodegradable.
Next weight of evidence study was prediction in this the biodegradability of test chemical 1,10-dioctyl decanedioate (CAS no. 2432 -87 -3) was predicted using OECD QSAR tool box v.3.3 using log Kow as primary descriptor. The test chemical 1,10-dioctyl decanedioate showed 81.80 % biodegradation by considering BOD as parameter and microorganism as inoculum in 28 days. Therefore it is concluded that test chemical 1,10-dioctyl decanedioate is readily biodegradable.
Another prediction done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test compound1,10-dioctyl decanedioate (CAS no. 2432-87-3) 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 Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical 1,10-dioctyl decanedioate is expected to be readily biodegradable.
In a supporting weight of evidence study from authoritative database (J Check, 2017) the Biodegradation experiment was carried out of read across chemical 1,6-bis(2-ethylhexyl) hexanedioate (CAS no. 103-23-1)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 read across chemical was 100 mg/L. The study design was of standard type. After 4 weeks of incubation percent biodegradation of read across chemical1,6-bis(2-ethylhexyl) hexanedioate was observed to be 71 % by BOD parameter 85 % by test material analysis by GC parameter .Therefore it is concluded that read across chemical 1,6-bis(2-ethylhexyl) hexanedioate is readily biodegradable.
In another supporting weight of evidence study from authoritative database (J Check, 2017) Biodegradability of read across chemical didodecyl 3,3'-sulfanediyldipropanoate (CAS no. 123-28-4) was determined 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 HPLC. The initial concentration of read across chemical was 100 mg/L and study design was of standard type. After 4 weeks of incubation Percent biodegradation of read across chemical didodecyl 3,3'-sulfanediyldipropanoate was observed to be 82 % by BOD parameter and 97% by test material analysis by HPLC parameter in 28 days. Therefore it is concluded that read across chemical didodecyl 3,3'-sulfanediyldipropanoate is readily biodegradable.
On the basis of results of above mentioned studies for target chemical 1,10-dioctyl decanedioate (CAS no. 2432-87-3) (From J Check, OECD QSAR tool boxv3.3 and EPI suite) and supporting weight of evidence study ( from J Check, 2017). It is concluded that the test chemical1,10-dioctyl decanedioate (CAS no. 2432-87-3) can be expected to be readily biodegradable.
Biodegradation in water and sediments:
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 1,10-dioctyl decanedioate (CAS No.2432-87-3). If released in to the environment, 23 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical 1,10-dioctyl decanedioate 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 test chemical 1,10-dioctyl decanedioate in sediment is estimated to be 135 days (3240 hrs). However as the percent release of test chemical 1,10-dioctyl decanedioate into sediment is less than 1 % (i.e., reported as 0.374% ) indicates that test chemical 1,10-dioctyl decanedioate is not persistant in sediments.
Biodegradation in Soil:
The half-life period of test chemical 1,10-dioctyl decanedioate (CAS No. 2432-87-3) 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, 76 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 1,10-dioctyl decanedioate in soil is estimated to be 30 days (720 hrs). Based on this half-life value of test chemical 1,10-dioctyl decanedioate, 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 / Sediment :
Results of Predicted data of target chemical 1,10-dioctyl decanedioate (CAS No: 2432-87-3) from three different sources by using different databases namely Bio-concentration Factor (v12.1.0.50374) module of ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) module, another one was SciFinder Database of American Chemical society and last one was Chemspider- ACD/PhysChem Suite of Royal Society of Chemistry, 2017 were obtained at different pH ranges ACD lab pH range from 1-14, Scifinder Datbase at pH range 1-10 and Chemspider at pH 5.5 and 7.4. The estimated values of Bioconcentration Factor i.e., BCF from three different sources were same which is 1000000 dimensionless this BCF value indicate that the target chemical 1,10-dioctyl decanedioate is very bioaccumulative in nature as BCF value exceeds 5000 criteria.
Transport and distribution:
Adsorption /Desorption:
Various predicted data for the target compound of 1,10-dioctyl decanedioate (CAS No: 2432-87-3) and supporting weight of evidence study for its read across chemical were reviewed for the Adsorption end point which are summarized as below.
In a prediction done by using using EPI suite KOCWIN Program (v2.00) the Soil Adsorption Coefficient i.e. Koc value of test chemical 1,10-dioctyl decanedioate (CAS No. 2432-87-3) was estimated to be 467700 L/kg (log Koc= 5.6699) by means of MCI method at 25 deg. C.
Next prediction done by using Adsorption Coefficient module (v12.1.0.50374) program of (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) module the Soil Adsorption Coefficient i.e Koc value of test substance 1,10-dioctyl decanedioate (CAS no. 2432-87-3) was estimated to be Koc 8703213 dimensionless (log Koc= 6.9396).
Another prediction done by using Sci Finder database of American Chemical Society (ACS, 2017) the soil adsorption co-efficient i.e., Koc value of test chemical 1,10-dioctyl decanedioate (CAS no. 2432-87-3) was estimated to be 6850000 dimensionless (log Koc = 6.8356) at pH 1-10 at temperature 25 deg.C.
Last prediction done by using Chemspider-ACD/Phy chem suite of Royal Society of Chemistry, 2017 the soil adsorption co-efficient i.e., Koc value of test substance 1,10-dioctyl decanedioate (CAS no. 2432-87-3) was estimated to be 5205616 dimensionless (log Koc= 6.7164) at pH 5.5 and 7.4 and temperature 25 deg.C .
In a supporting weight of evidence study from Hazardous Substance Data Bank (HSDB, 2017) of read across chemical 1,6-bis(2-ethylhexyl) hexanedioate (CAS no. 103-23-1) Koc value was estimated by using a structure estimation method based on molecular connectivity indices .The estimated Koc value is 49000 dimensionless and log Koc is 4.6901.
In another supporting weight of evidence study from same source as mentioned above (HSDB, 2017) of read across chemical didodecyl 3,3'-sulfanediyldipropanoate (CAS no. 123-28-4) Koc value was estimated by using a structure estimation method based on molecular connectivity indices. The estimated Koc value is 9000000 dimensionless and log Koc is 6.9542.
On the basis of above results for target chemical 1,10-dioctyl decanedioate (CAS no. 2432-87-3) (from EPI suite, ACD labs, Sci Finder database and Chemspider 2017) and for its read across chemicals (From authoritative database HSDB) it can be concluded that the log Koc value of test substance 1,10-dioctyl decanedioate ranges from 5.6699 to 6.9396 indicating that the chemical 1,10-dioctyl decanedioate has very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
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