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EC number: 257-399-1 | CAS number: 51765-51-6
Endpoint summary
Administrative data
Description of key information
Biodegradation in water
Biodegradability of N-(2-phenoxyphenyl)methanesulfonamide is predicted using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor (2017). Test substance undergoes 15.6% degradation by BOD in 28 days.Thus, based on percentage degradation, the test chemical N-(2 -phenoxyphenyl)methane sulfonamide was estimated to be not readily biodegradable in water.
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 N-(2 -phenoxyphenyl)methanesulfo namide (CAS No. 51765 -51 -6). If released in to the environment, 16.3% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of N-(2-phenoxyphenyl)methanesulfonamide in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 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 N-(2-phenoxyphenyl)methanesulfonamide in sediment is estimated to be 337.5 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.326%), indicates that N-(2-phenoxyphenyl)methanesulfonamide is not persistent in sediment.
Biodegradation in soil
The half-life period of N-(2-phenoxyphenyl)methanesulfonamide (CAS No.51765 -51 -6) 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, 83.3% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of N-(2-phenoxyphenyl)methanesulfonamide in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of N-(2-phenoxyphenyl)methanesulfonamide, 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 Program, the estimated bio concentration factor (BCF) for N-(2-Phenoxyphenyl)methanesulphonamide is 17.94 L/kg whole body w.w which does not exceed the bio concentration threshold of 2000. Thus it is concluded that N-(2-Phenoxyphenyl)methanesulphonamide is not expected to bioaccumulate in the food chain.
Adsorption / desorption:
The Soil Adsorption Coefficient i.e Koc value of N-(2-Phenoxyphenyl)methanesulphonamide was estimated using EPI suite KOCWIN (v2.00) as Koc 358.5 L/kg (log Koc = 2.554) by means of MCI method at 25 deg.C. This Koc value indicates that the substance N-(2-Phenoxyphenyl)methanesulphonamide has a Moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.
Additional information
Biodegradation in water
Predicted data for the target compound N-(2-phenoxyphenyl)methanesulfonamide (CAS No. 51765-51-6) and various study for its read across substance were reviewed for the biodegradation end point which are summarized as below:
For target chemical N-(2-phenoxyphenyl)methanesulfonamide(CAS No. 51765-51-6), biodegradability is predicted using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor (2017). Test substance undergoes 15.6% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical N-(2 -phenoxyphenyl)methane sulfonamide was estimated to be not readily biodegradable in water.
Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the test compound N-(2-phenoxyphenyl)methanesulfonamide (CAS no. 51765 -51 -6) 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 N-(2 -phenoxyphenyl)methanesulfonamide is expected to be not readily biodegradable.
In a weight of evidence study from authoritative database (J-CHECK, 2016), experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance 1-methyl-3-phenoxybenzene (CAS no. 3586-14-9). 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 2% and 1% by BOD and GC parameter in 28 days. Thus, based on percentage degradation, 1 -methyl-3 -phenoxybenzene is considered to be not readily biodegradable in nature.
For another read across chemical N-butylbenzenesulfonamide (CAS no. 3622 -84 -2), biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of test substance. 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 0% and 1% by BOD, HPLC and TOC removal parameter in 28 days. Thus, based on percentage degradation, N-butylbenzenesulfonamide is considered to be not readily biodegradable in nature.
Another biodegradation study for the same read across substance N-butylbenzenesulfonamide (CAS no. 3622-84-2) was conducted for 28 days for evaluating the percentage biodegradability of substance (U.S. Environmental Protection Agency, 2016).The study was performed according to OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test) at a temperature of20-23°C.Initial test substance conc. used in the study was 45 and 45.2 mg/l (mg CO2/l) & 21.8 and 21.75 mg/l (based on test mat.), respectively. Activated sludge was used as a test inoculum obtained fromsewage treatment plant. Concentrated sludge (6.5 g solids/L) was left to settle for 30 min; the decanted liquid was used as inoculum (7.65 ml/L mineral medium).Sampling was carried out on day 1, 4, 6, 8, 11, 14, 18, 22, 26 and 28, respectively. Sodium acetate of conc. 40.2 mg/l was used as a reference substance for the study. Reference substance undergoes percentage degradation of 105% after 28 days. The percentage degradation of read across substance was determined to be 12% and 23% byCO2 evolution in 28 days. Thus, based on percentage degradation, N-butylbenzenesulfonamide is considered to be not readily biodegradable in nature.
For the same read across chemical N-butylbenzenesulfonamide (CAS no. 3622-84-2) from secondary source (High Production Volume Challenge Program, 2016), biodegradation study was conducted for 28 days for evaluating the percentage biodegradability. The study was performed according to OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test). Initial test substance conc. used in the study was 21.5 mg/l. Activated sludge was used as a test inoculum. In the toxicity control more than 25% degradation occurred within 14 days (based on ThCO2). Therefore, the test substance was assumed to be not inhibitory. The percentage degradation of read across substance was determined to be18% byCO2 evolution parameter in 28 days. Thus, based on percentage degradation, N-butylbenzenesulfonamide is considered to be not readily biodegradable in nature.
On the basis of above results for target chemical N-(2-phenoxyphenyl)methanesulfonamide (fromOECD QSAR toolbox version 3.3 and EPI Suite, 2017) and for its read across substance (from authoritative database J-CHECK, 2016 and secondary source High Production Volume Challenge Program, 2016), it can be concluded that the test substance N-(2-phenoxyphenyl)methanesulfonamide can be expected to be not 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 N-(2 -phenoxyphenyl)methanesulfo namide (CAS No. 51765 -51 -6). If released in to the environment, 16.3% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of N-(2-phenoxyphenyl)methanesulfonamide in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 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 N-(2-phenoxyphenyl)methanesulfonamide in sediment is estimated to be 337.5 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.326%), indicates that N-(2-phenoxyphenyl)methanesulfonamide is not persistent in sediment.
Biodegradation in soil
The half-life period of N-(2-phenoxyphenyl)methanesulfonamide (CAS No.51765 -51 -6) 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, 83.3% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of N-(2-phenoxyphenyl)methanesulfonamide in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of N-(2-phenoxyphenyl)methanesulfonamide, 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 N-(2 -phenoxyphenyl)methanesulfonamide can be considered to be not readily biodegradable in nature.
Bioaccumulation: aquatic / sediment:
Four different predicted data from validated models for bioaccumulation (BCF) endpoint of target chemical N-(2-phenoxyphenyl)methanesulfonamide (Cas no. 51765-51-6) were summarized as follows:
First prediction done using BCFBAF (v3.00) model indicate the estimated bio concentration factor (BCF) for N-(2-phenoxyphenyl)methanesulfonamide is 17.94 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that N-(2-phenoxyphenyl)methanesulfonamide is not expected to bio accumulate in the aquatic environment.
Other predicted database PBT profiler indicate the Bioaccumulation factor (BCF) for test substance N-(2-phenoxyphenyl)methanesulfonamide was estimated to be 18 L/kg wet-wt at 25 deg.C.
Data from Scifinder database suggest the Bioconcentration factor (BCF) for target chemical N-(2-phenoxyphenyl)methanesulfonamide was predicted to be 29.4 at pH 1-5, 29.3 at pH 2, 28.3 at pH 7, 21.6 at pH 8 and temperature 25 deg.C.
Whereas Chemspider - ACD/PhysChem Suite estimates the Bioconcentration factor (BCF) for target chemical N-(2-phenoxyphenyl)methanesulfonamide as 40.19 at pH 5.5 and 36.87 at pH 7.4 at temperature 25 deg.C.
Thus based on the above information for bioaccumulation endpoint, it can be concluded that the test substance N-(2-phenoxyphenyl)methanesulfonamide (Cas no. 51765-51-6) is expected to be non Bioaccumulative in aquatic environment.
Adsorption / desorption:
Three different predicted data from validated model for adsorption (KOC) endpoint of test substance N-(2-Phenoxyphenyl)methanesulphonamide (CAS no. 51765-51-6) were summarized as follows:
First estimation using KOCWIN model (v2.00) of EPI suite indicated the Soil Adsorption Coefficient i.e Koc value of N-(2-Phenoxyphenyl)methanesulphonamide as Koc 358.5 L/kg (log Koc = 2.554) by means of MCI method at 25 deg.C. This Koc value indicates that the substance N-(2-Phenoxyphenyl)methanesulphonamide has a moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.
Another prediction model for target i.e Chemspider - ACD/PhysChem Suite suggest the soil adsorption coefficient i.e Koc value of test substance N-(2-phenoxyphenyl)methanesulfonamide was estimated to be 489.45 (log koc: 2.68 ) at pH 5.5 and 448.98 (log koc: 2.65 ) at pH 7.4 at temp.25 deg.C
Above both results are supported by another prediction database Scifinder, which indicated the soil adsorption coefficient i.e Koc value of test substance N-(2-phenoxyphenyl)methanesulfonamide was estimated to be 391 (Log koc: 2.59) at pH 1-6; 377 (Log koc: 2.57) at pH 7; 287 (Log koc: 2.45) at pH 8 at temperature 25 deg.C. This Koc value at all range of pH condition indicates that the substance N-(2-phenoxyphenyl)methanesulfonamide has moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.
Thus all above available values for adsorption (log KOC) is in the range of 2.45 to 2.68 (L/kg or dimensionless) which indicates that the target substance N-(2-Phenoxyphenyl)methanesulphonamide (CAS no. 51765-51-6) is expected to have moderate mobility in soil and sediment compartment.
Henry's Law constant:
Henry's Law constant of test substance N-(2-Phenoxyphenyl)methanesulphonamide was estimated to be 0.00258 (2.58E-003)Pa-m3/mole at 25 deg.C
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