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EC number: 236-100-8 | CAS number: 13161-30-3
Endpoint summary
Administrative data
Description of key information
Biodegradation in water
Biodegradability of 2-Hydroxypyridine 1-oxide (CAS no. 13161 -30 -3) is predicted using OECD QSAR toolbox version 3.3 (2017) with logKow as the primary descriptor. Test substance undergoes 17.4% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 2-Hydroxypyridine 1-oxide was estimated to be not readily biodegradable in water.
Biodegradation in water & sediment
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 2-Hydroxypyridine 1-oxide (CAS No. 13161 -30 -3). If released in to the environment, 18.3% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 2-Hydroxypyridine 1-oxide 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 2-Hydroxypyridine 1-oxide in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.142%), indicates that 2-Hydroxypyridine 1-oxide is not persistent in sediment.
Biodegradation in soil
The half-life period of 2-Hydroxypyridine 1-oxide (CAS No. 13161 -30 -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, 81.5% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 2-Hydroxypyridine 1-oxide in soil is estimated to be 30 days (720 hrs). Based on this half-life value of 2-Hydroxypyridine 1-oxide, 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 (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 2-Hydroxypyridine 1-oxide (CAS No. 13161 -30 -3). The bioconcentration factor (BCF) of 2-Hydroxypyridine 1-oxide was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 2-Hydroxypyridine 1-oxide is not expected to bioaccumulate in the food chain.
Adsorption/desorption
KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 2-Hydroxypyridine 1-oxide (CAS No. 13161 -30 -3). The soil adsorption coefficient i.e Koc value of 2-Hydroxypyridine 1-oxide was estimated to be 150.8 L/kg (log Koc= 2.1785) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 2-Hydroxypyridine 1-oxide has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
Additional information
Biodegradation in water
Various predicted data for the target compound 2-Hydroxypyridine 1-oxide(CAS No. 13161-30-3) and supporting weight of evidence studies 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 prediction done by SSS (2017) using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor, percentage biodegradability of test chemical 2-Hydroxypyridine 1-oxide(CAS No. 13161-30-3) was estimated.Test substance undergoes 17.4% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 2-Hydroxypyridine 1-oxide was estimated to be not readily biodegradable in water.
In a prediction done by SSS (2017) using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor, percentage biodegradability of test chemical 2-Hydroxypyridine 1-oxide(CAS No. 13161-30-3) 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 chemical 2-Hydroxypyridine 1-oxide is expected to be not readily biodegradable.
In a supporting weight of evidence study from peer reviewed journal (H. Heukelekian and M. C. Rand, 1955) for the read across chemical 1,3,5-Triazine-2,4,6-triamine (CAS no. 108-78-1), biodegradation experiment was conducted for 5 days for evaluating the percentage biodegradability of read across substance 1,3,5-Triazine-2,4,6-triamine using standard dilution method under aerobic conditions at a temperature of 20°C. Sewage was used as a test inoculum. The 5 day BOD value of chemical 1,3,5-Triazine-2,4,6-triamine was determined to be 0.006 g/g. Thus, based on this value, 1,3,5-Triazine-2,4,6-triamine is considered to be not readily biodegradable in nature.
Another biodegradation study from authoritative database (J-CHECK, 2017 and EnviChem, 2014) was conducted for 14 days for evaluating the percentage biodegradability of read across substance 1,3,5-Triazine-2,4,6-triamine (CAS no. 108-78-1). The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I)). 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 substance 1,3,5-Triazine-2,4,6-triamine was determined to be 0 and < 0% by BOD, O2 consumption, TOC removal, test mat. analysis, UV-Vis and HPLC parameter in 14 days. Thus, based on percentage degradation, 1,3,5-Triazine-2,4,6-triamine is considered to be not readily biodegradable in nature.
For the same read across chemical 1,3,5-Triazine-2,4,6-triamine (CAS no. 108-78-1),a standard BOD test for 5 days was conducted under aerobic conditions for evaluating the percentage biodegradability of read across substance 1,3,5-Triazine-2,4,6-triamine (HSDB, 2017). The percentage degradation of substance 1,3,5-Triazine-2,4,6-triamine was determined to be 0% by BOD parameter in 5 days. Thus, based on percentage degradation, 1,3,5-Triazine-2,4,6-triamine is considered to be not readily biodegradable in nature.
In a supporting weight of evidence study from authoritative database (J-CHECK, 2017 and EnviChem, 2014) for the read across chemical 2-Isopropyl-6-methyl-4-pyrimidinol (CAS no. 2814-20-2), biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance 2-Isopropyl-6-methyl-4-pyrimidinol. The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I)). 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 substance 2-Isopropyl-6-methyl-4-pyrimidinol was determined to be 0 and 2% by BOD, TOC removal and HPLC parameter in 28 days. Thus, based on percentage degradation, 2-Isopropyl-6-methyl-4-pyrimidinol is considered to be not readily biodegradable in nature.
On the basis of above results for target chemical 2-Hydroxypyridine 1-oxide (from OECD QSAR toolbox version 3.3 and EPI suite, 2017) and for its read across substance (from authoritative database J-CHECK, HSDB, EnviChem and peer reviewed journal), it can be concluded that the test substance 2-Hydroxypyridine 1-oxide can be expected to be not readily biodegradable in nature.
Biodegradation in water & sediment
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 2-Hydroxypyridine 1-oxide (CAS No. 13161 -30 -3). If released in to the environment, 18.3% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 2-Hydroxypyridine 1-oxide 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 2-Hydroxypyridine 1-oxide in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.142%), indicates that 2-Hydroxypyridine 1-oxide is not persistent in sediment.
Biodegradation in soil
The half-life period of 2-Hydroxypyridine 1-oxide (CAS No. 13161 -30 -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, 81.5% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 2-Hydroxypyridine 1-oxide in soil is estimated to be 30 days (720 hrs). Based on this half-life value of 2-Hydroxypyridine 1-oxide, 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 2-Hydroxypyridine 1-oxide can be considered to be not readily biodegradable in nature.
Bioaccumulation: aquatic/sediment
Various predicted data for the target compound2-Hydroxypyridine 1-oxide(CAS No. 13161-30-3) were reviewed for the bioaccumulation end point which are summarized as below:
In aprediction done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 2-Hydroxypyridine 1-oxide (CAS No. 13161 -30 -3). The bioconcentration factor (BCF) of 2-Hydroxypyridine 1-oxide was estimated to be 3.162 L/kg whole body w.w (at 25 deg C).
In an another prediction done by using Bio-concentration Factor (v12.1.0.50374) module ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), theBCF over the entire pH scale (pH 1 -14) of the test substance 2-Hydroxypyridine 1-oxide (CAS no. 13161 -30 -3) was estimated to be approx. 1.
Bioconcentration Factor (BCF) of test chemical 2-Hydroxypyridine 1-oxide was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance 2-Hydroxypyridine 1-oxide was estimated to be 1 at both pH 5.5 and 7.4, respectively.
Another predicted data was estimated using SciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical 2-Hydroxypyridine 1-oxide (CAS No. 13161 -30 -3). The bioconcentration factor (BCF) of 2-Hydroxypyridine 1-oxide was estimated to be 1 (at 25 deg C).
On the basis of above results for target chemical 2-Hydroxypyridine 1-oxide(from EPI suite, ACD labs,ChemSpider and SciFinder database, 2017), it can be concluded that the BCF value of test substance 2-Hydroxypyridine 1-oxide ranges from 1 – 3.162 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2-Hydroxypyridine 1-oxide is not expected to bioaccumulate in the food chain.
Adsorption/desorption
Various predicted data for the target compound2-Hydroxypyridine 1-oxide(CAS No. 13161-30-3) were reviewed for the adsorption end point which are summarized as below:
In aprediction done using theKOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 2-Hydroxypyridine 1-oxide (CAS No. 13161 -30 -3). The soil adsorption coefficient i.e Koc value of 2-Hydroxypyridine 1-oxide was estimated to be 150.8 L/kg (log Koc= 2.1785) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 2-Hydroxypyridine 1-oxide has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
The Soil Adsorption Coefficient i.e Koc value of test substance 2-Hydroxypyridine 1-oxide was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1.96, 2.09, 2.10, 2.07, 1.79 and 1.0 at pH range 0, 1, 2-4, 5, 6 and 7-14, respectively (log Koc value ranges from 0 to 0.3 ± 1.0)(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017). This Koc value indicates that the test substance 2-Hydroxypyridine 1-oxide has a negligible sorption to soil and therefore have rapid migration potential to groundwater.
In an another prediction done by using ChemSpider Database (2017),the Soil Adsorption Coefficient i.e Koc value of test substance 2-Hydroxypyridine 1-oxide (CAS no. 13161 -30 -3) was estimated. The adsorption coefficient (Koc) value of test substance 2-Hydroxypyridine 1-oxide was estimated to be 5.89 (Log Koc = 0.77) at pH 5.5 and 1.16 (Log Koc = 0.06) at pH 7.4, respectively. This Koc value indicates that the test substance 2-Hydroxypyridine 1-oxide has a negligible sorption to soil and therefore have rapid migration potential to groundwater.
Additional soil adsorption coefficient i.e Koc value of test chemical 2-Hydroxypyridine 1-oxide (CAS No. 13161 -30 -3) was estimated using the SciFinder database (American Chemical Society (ACS), 2017). The soil adsorption coefficient i.e Koc value of 2-Hydroxypyridine 1-oxide was estimated to be 2.80, 2.82, 2.81, 2.77, 2.40, 1.03 and 1 at pH range 1, 2-3, 4, 5, 6, 7 and 8-10, respectively (log Koc value ranges from 0 to 0.447) (at 25 deg C). This Koc value indicates that the substance 2 -Hydroxypyridine 1 -oxide 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 chemical 2-Hydroxypyridine 1-oxide(from EPI suite, ACD labs,ChemSpider and SciFinder database,2017), it can be concluded that the Koc value of test substance 2-Hydroxypyridine 1-oxide ranges from 1 –150.8 indicating that the test chemical 2-Hydroxypyridine 1-oxide has a negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to ground water.
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