N-(2-phenoxyphenyl)methanesulphonamide

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Estimated data generated using the EPI Suite program developed by the USEPA.

Qualifier:

according to guideline

Guideline:

other: Modelling database

Principles of method if other than guideline:

Prediction done using BCFBAF (v3.00) model

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material (as cited in study report): N-(2-phenoxyphenyl)methanesulfonamide
- Molecular formula (if other than submission substance): C13H13NO3S
- Molecular weight (if other than submission substance): 263.316 g/mol
- Smiles notation (if other than submission substance): S(Nc1c(Oc2ccccc2)cccc1)(=O)(=O)C
- InChI: 1S/C13H13NO3S/c1-18(15,16)14-12-9-5-6-10-13(12)17-11-7-3-2-4-8-11/h2-10,14H,1H3
- Substance type: Organic
- Physical state: Solid

Radiolabelling:

not specified

Vehicle:

not specified

Test organisms (species):

other: Fish

Route of exposure:

aqueous

Test type:

not specified

Water / sediment media type:

natural water: freshwater

Test temperature:

25 deg.C

Reference substance (positive control):

not specified

Key result

Temp.:

25 °C

Type:

BCF

Value:

17.94 L/kg

Basis:

whole body w.w.

Calculation basis:

other: estimated

Remarks on result:

other: Non bioaccumulative

BCFBAF Program (v3.01) Results:

==============================

SMILES : S(=O)(=O)(C)Nc1c(Oc2ccccc2)cccc1

CHEM :

MOL FOR: C13 H13 N1 O3 S1

MOL WT : 263.31

--------------------------------- BCFBAF v3.01 --------------------------------

Summary Results:

Log BCF (regression-based estimate): 1.25 (BCF = 17.9 L/kg wet-wt)

Biotransformation Half-Life (days) : 0.438 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 1.37 (BAF = 23.5 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 2.40

Equation Used to Make BCF estimate:

Log BCF = 0.6598 log Kow - 0.333 + Correction

Correction(s): Value

No Applicable Correction Factors

Estimated Log BCF = 1.254 (BCF = 17.94 L/kg wet-wt)

Validity criteria fulfilled:

not specified

Conclusions:

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.

Executive summary:

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.

Description of key information

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.

Key value for chemical safety assessment

BCF (aquatic species):

17.94 L/kg ww

Additional information

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.