Tetrabutylammonium iodide

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 model developed by the USEPA.

Qualifier:

according to guideline

Guideline:

other: Modelling database

Principles of method if other than guideline:

Prediction done using BCFBAF Program (v3.00) model

GLP compliance:

not specified

Specific details on test material used for the study:

- IUPAC name: N,N,N-tributylbutan-1-aminium iodide
- Name of test material (as cited in study report): N,N,N-tributylbutan-1-aminium iodide
- Molecular formula (if other than submission substance): C16H36N.I
- Molecular weight (if other than submission substance): 369.367 g/mol
- Smiles notation (if other than submission substance): [N+](CCCC)(CCCC)(CCCC)CCCC.[IH-]
- InChI: 1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
- 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:

70.79 L/kg

Basis:

whole body w.w.

Calculation basis:

other: estimated

Remarks on result:

other: Non bioaccumulative

BCFBAF Program (v3.01) Results:

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

SMILES : N(I)(CCCC)(CCCC)(CCCC)CCCC

CHEM : 1-Butanaminium, N,N,N-tributyl-, iodide

MOL FOR: C16 H36 I1 N1

MOL WT : 369.38

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

Summary Results:

Log BCF (regression-based estimate): 1.85 (BCF = 70.8 L/kg wet-wt)

Biotransformation Half-Life (days) : 0.281 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 0.76 (BAF = 5.74 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 1.71

Equation Used to Make BCF estimate:

Log BCF = 1.85 (Ionic; 11 or more -CH2- groups)

Estimated Log BCF = 1.850 (BCF = 70.79 L/kg wet-wt)

Validity criteria fulfilled:

not specified

Conclusions:

From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for N,N,N-tributylbutan-1-aminium iodide is 70.79 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that N,N,N-tributylbutan-1-aminium iodide is not expected to bio accumulate in the food chain.

Executive summary:

From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for N,N,N-tributylbutan-1-aminium iodide is 70.79 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that N,N,N-tributylbutan-1-aminium iodide is not expected to bio accumulate 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,N,N-tributylbutan-1-aminium iodide is 70.79 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that N,N,N-tributylbutan-1-aminium iodide is not expected to bio accumulate in the food chain.

Key value for chemical safety assessment

BCF (aquatic species):

70.79 L/kg ww

Additional information

Two predicted reports for bioaccumulation in aquatic environment endpoint of test chemical N,N,N-tributylbutan-1-aminium iodide (Cas no. 311-28-4) were reviewed as follows:

First study from BCFBAF (v3.01) model of EPI suite Program the estimated bio concentration factor (BCF) for N,N,N-tributylbutan-1-aminium iodide is to be 70.79 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that chemical N,N,N-tributylbutan-1-aminium iodide (Cas no. 311-28-4) is not expected to bio accumulate in the food chain.

And supporting report from predicted model PBT profiler; 2017 indicated the Bioaccumulation factor (BCF) was predicted to be 71 at 25 deg.C for test chemical N,N,N-tributylbutan-1-aminium iodide. Based on the BCF concentration it is concluded that the test chemical N,N,N-tributylbutan-1-aminium iodide is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.

Both results from reliable predicted models indicate the Bioaccumulation value (BCF) is in the range 70.79 -71 for target chemical N,N,N-tributylbutan-1-aminium iodide.

Thus it can be concluded that the test substance N,N,N-tributylbutan-1-aminium iodide (Cas no. 311-28-4) is non bioaccumulative in aquatic environment.