Methylammonium chloride

Biodegradation in water: screening tests

Link to relevant study record(s)

Reference

Endpoint:

biodegradation in water: ready biodegradability

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Data is from computational model developed by USEPA

Qualifier:

according to guideline

Guideline:

other: Modeling database

Principles of method if other than guideline:

The Biodegradation Probability Program (BIOWIN) estimates the probability for the rapid aerobic biodegradation of an organic chemical in the presence of mixed populations of environmental microorganisms .The model is part of the EpiSuite program of the US-EPA. Estimations are made with BIOWIN version 4.10Estimates are based upon fragment constants that were developed using multiple linear and non-linear regression analyses. Experimental biodegradation data for the multiple linear and non-linear regressions were obtained from Syracuse Research Corporation's (SRC) data base of evaluated biodegradation data (Howard et. al., 1987). This version (v4.10) designates the models as follows (see also Boethling et al. 2003):
Biowin1 = linear probability model
Biowin2 = nonlinear probability model
Biowin3 = expert survey ultimate biodegradation model
Biowin4 = expert survey primary biodegradation model
Biowin5 = MITI linear model
Biowin6 = MITI nonlinear model
Biowin7 = anaerobic biodegradation 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

Oxygen conditions:

other: aerobic (Biowin 1-6) and anaerobic (Biowin 7)

Inoculum or test system:

other: mixed populations of environmental microorganisms

Duration of test (contact time):

3.05 wk

Details on study design:

Using the computer tool BIOWIN v4.10 by US-EPA (EPIWIN) the aerobic as well as the anaerobic biodegradability of the test material can be estimated. The follwoing seven different models are used by the tool: Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI LInear Model, MITI Non-Linear Model and Anaerobic Model (calles Biowin 1-7, respectively). Due to this results the overall prediction of readily biodegradability is done for the desired chemical.

Parameter:

other: Half-life

Value:

50

Sampling time:

3.05 wk

Remarks on result:

other: readily biodegradable as estimated by BIOWIN model.

Details on results:

Biowin1 (Linear Model Prediction) : 0.7154: Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): 0.8859: Biodegrades Fast
Biowin3 (Ultimate Biodegradation Timeframe): 3.0500: Weeks
Biowin4 (Primary Biodegradation Timeframe): 3.7503: Days
Biowin5 (MITI Linear Model Prediction) : 0.5024: Biodegrades Fast
Biowin6 (MITI Non-Linear Model Prediction): 0.7008: Biodegrades Fast
Biowin7 (Anaerobic Model Prediction): 0.3188: Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES

BIOWIN (v4.10) Program Results:

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

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

CHEM : Methanamine, hydrochloride

MOL FOR: C1 H6 CL1 N1

MOL WT : 67.52

--------------------------- BIOWIN v4.10 Results ----------------------------

Biowin1 (Linear Model Prediction) : Biodegrades Fast

Biowin2 (Non-Linear Model Prediction): Biodegrades Fast

Biowin3 (Ultimate Biodegradation Timeframe): Weeks

Biowin4 (Primary Biodegradation Timeframe): Days

Biowin5 (MITI Linear Model Prediction) : Biodegrades Fast

Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast

Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast

Ready Biodegradability Prediction: YES

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

MolWt| * | Molecular Weight Parameter | | -0.0321

Const| * | Equation Constant | | 0.7475

============+============================================+=========+=========

RESULT | Biowin1 (Linear Biodeg Probability) | | 0.7154

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

MolWt| * | Molecular Weight Parameter | | -0.9588

============+============================================+=========+=========

RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.8859

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin3 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

MolWt| * | Molecular Weight Parameter | | -0.1492

Const| * | Equation Constant | | 3.1992

============+============================================+=========+=========

RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 3.0500

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

MolWt| * | Molecular Weight Parameter | | -0.0974

Const| * | Equation Constant | | 3.8477

============+============================================+=========+=========

RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.7503

============+============================================+=========+=========

Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks

(Primary & Ultimate) 2.00 -> months 1.00 -> longer

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin5 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Methyl [-CH3] | 0.0004 | 0.0004

Frag | 1 | Quaternary amine | -0.0093 | -0.0093

MolWt| * | Molecular Weight Parameter | | -0.2009

Const| * | Equation Constant | | 0.7121

============+============================================+=========+=========

RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 0.5024

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Methyl [-CH3] | 0.0194 | 0.0194

Frag | 1 | Quaternary amine | 0.2550 | 0.2550

MolWt| * | Molecular Weight Parameter | | -1.9492

============+============================================+=========+=========

RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.7008

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable

A Probability Less Than 0.5 indicates --> NOT Readily Degradable

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin7 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Methyl [-CH3] | -0.0796 | -0.0796

Frag | 1 | Quaternary amine | -0.4377 | -0.4377

Const| * | Equation Constant | | 0.8361

============+============================================+=========+=========

RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | 0.3188

============+============================================+=========+=========

A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast

A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast

Ready Biodegradability Prediction: (YES or NO)

----------------------------------------------

Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey

model) result is "weeks" or faster (i.e. "days", "days to weeks", or

"weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then

the prediction is YES (readily biodegradable). If this condition is not

satisfied, the prediction is NO (not readily biodegradable). This method

is based on application of Bayesian analysis to ready biodegradation data

(see Help). Biowin5 and 6 also predict ready biodegradability, but for

degradation in the OECD301C test only; using data from the Chemicals

Evaluation and Research Institute Japan (CERIJ) database.

Validity criteria fulfilled:

not specified

Interpretation of results:

readily biodegradable

Conclusions:

The biodegradability of the substance was calculated using seven different Biowin 1-7 models of the BIOWIN v4.10 software. The results indicate that methanaminium chloride is expected to be readily biodegradable.

Executive summary:

Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the test compound methanaminium chloride (CAS no. 593 -51 -1) 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 methanaminium chloride is expected to be readily biodegradable.

Description of key information

Biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of test substance Methylamine hydrochloride (CAS no. 593 -51 -1). 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 test substance was determined to be 84, 96 and 100% degradation by O₂consumption, BOD(NH3), TOC removal, test mat. analysis and HPLC parameter in 14 days.Thus, based on percentage degradation, Methylamine hydrochloride is considered to be readily biodegradable in nature.

Key value for chemical safety assessment

Biodegradation in water:

readily biodegradable

Additional information

Various study and predicted data for the target compound methanaminium chloride (CAS no. 593 -51 -1) and 3 supporting studies (from authoritative database) 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 an experimental key study (J-CHECK, 2016),biodegradation experiment was conducted for 14 days for evaluating the percentage biodegradability of test substance Methylamine hydrochloride (CAS no. 593 -51 -1). 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 test substance was determined to be 84, 96 and 100% degradation by O2consumption, BOD(NH3), TOC removal, test mat. analysis and HPLC parameter in 14 days. Thus, based on percentage degradation, Methylamine hydrochloride is considered to be readily biodegradable in nature.

 

In a supporting prediction done using the Estimation Programs Interface Suite (EPI suite, 2017), the biodegradation potential of the test compound methanaminium chloride (CAS no. 593 -51 -1) in the presence of mixed populations of environmental microorganisms 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 methanaminium chloride is expected to be readily biodegradable.

 

For read across substance Monomethylamine (CAS no. 74 -89 -5), biodegradation study was conducted for evaluating the percentage biodegradability of substance Monomethylamine (HSDB, 2016). The percentage degradation of test substance was determined to be 67.8% degradation by BOD parameter in 13 days. Thus, based on percentage degradation, Monomethylamine is considered to be readily biodegradable in nature.

 

Another supporting biodegradation study (HSDB, 2016) was carried out for 28 days for evaluating the percentage biodegradability of the read across substance Monomethylamine (CAS no. 74 -89 -5).The study was performed according to OECD Guideline 301 D (Ready Biodegradability: Closed Bottle Test). The percentage degradation of test substance was determined to be107% by ThOD parameter in 28 days. Thus, based on percentage degradation, Monomethylamine is considered to be readily biodegradable in nature.

 

In an additional study of the same read acrosssubstance Monomethylamine (CAS no. 74 -89 -5) from authoritative database (HSDB, 2016), biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of test substance Monomethylamine. The study was performed according to OECD Guideline 301 E (Ready biodegradability: Modified OECD Screening Test). The percentage degradation of test substance was determined to be 96% by DOC removal parameter in 28 days. Thus, based on percentage degradation, Monomethylamine is considered to be readily biodegradable in nature.

 

On the basis of above results for target chemical methanaminium chloride (from authoritative database J-CHECK and EPI Suite) and for its read across substance (from HSDB authoritative database), it can be concluded that the test substance methanaminium chloride can be expected to be readily biodegradable in nature.