Methylammonium chloride

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:

- Name of test material (as cited in study report): Methylamine hydrochloride
- Molecular formula (if other than submission substance): CH5N.Cl H
- Molecular weight (if other than submission substance): 67.5184 g/mol
- Smiles notation (if other than submission substance): C[NH3+].[ClH-]
- InChl (if other than submission substance): 1S/CH5N.ClH/c1-2;/h2H2,1H3;1H
- 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:

3.162 L/kg

Basis:

whole body w.w.

Calculation basis:

other: estimated

Remarks on result:

other: Non bioaccumulative

BCFBAF Program (v3.01) Results:

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

SMILES : CN(CL)(H)(H)(H)

CHEM : Methanamine, hydrochloride

MOL FOR: C1 H6 CL1 N1

MOL WT : 67.52

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

Summary Results:

Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)

Biotransformation Half-Life (days) : 0.00229 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): -0.05 (BAF = 0.893 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: -3.82

Equation Used to Make BCF estimate:

Log BCF = 0.50 (Ionic; Log Kow dependent)

Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)

Validity criteria fulfilled:

not specified

Conclusions:

From BCFBAF (v3.00) model of EPI suite, the estimated bio concentration factor (BCF) for Methylamine hydrochloride is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.

Executive summary:

From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for Methylamine hydrochloride is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that chemical Methylamine hydrochloride is not expected to be bioaccumulative in fish and the food chain.

Description of key information

From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for Methylamine hydrochloride is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that chemical Methylamine hydrochloride is not expected to be bioaccumulative in fish and the food chain.

Key value for chemical safety assessment

BCF (aquatic species):

3.162 L/kg ww

Additional information

Three different studies including those from validated prediction databases and experimental study for bioaccumulation endpoint of target chemical Methylamine hydrochloride (Cas no. 593-51-1) and relevant read across which is basic structure of the target chemical are summarized as followed:

 

Prediction done using the BCFBAF (v3.00) model of EPI Suite program indicated the estimated bio concentration factor (BCF) for Methylamine hydrochloride as 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.

 

Another prediction database PBT profiler proposed the Bioaccumulation factor (BCF) was predicted to be 3.2 L/kg wet-wt at 25 deg.C for test chemical Methylamine hydrochloride.

 

Further, an experimental study of basic structure chemical Monomethylamine or methylamine (Cas no. 74-89-5) supports the above predicted results of target substance. It suggested an estimated BCF of 3 was calculated in fish for methylamine, using a log Kow of -0.57 and a regression-derived equation. This BCF suggests the potential for bioconcentration in aquatic organisms is low. (HSDB database; 2017)

All values for bioaccumulation is in the range of 3 -3.2 (L/kg or dimensionless) conclude that the target chemical Methylamine hydrochloride (Cas no. 593-51-1) is not expected to be bioaccumulative in fish and the food chain.