2-(hydroxymethylamino)ethanol

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

Qualifier:

according to guideline

Guideline:

other: Modelling database

Principles of method if other than guideline:

Prediction done using Bioconcentration factor (v12.1.0.50374).This particular module provides bioconcentration factor (BCF) values over the entire pH scale. Calculations are performed for both neutral and ionic species present at a given pH and utilize predicted values for LogP as well as pKa. The BCF and Koc values characterize the tendency for a compound to accumulate in aquatic organisms and soil respectively, putting these two values among the most important ones in the assessment of environmental fate of chemicals.

GLP compliance:

no

Specific details on test material used for the study:

- Name of test material (as cited in study report): 2-(hydroxymethylamino)ethanol
- Molecular formula (if other than submission substance): C3H9NO2
- Molecular weight (if other than submission substance): 91.1091 g/mol
- Smiles notation (if other than submission substance): CN(CCO)O
- InChl (if other than submission substance): 1S/C3H9NO2/c1-4(6)2-3-5/h5-6H,2-3H2,1H3
- Substance type: Organic
- Physical state: Liquid

Radiolabelling:

no

Vehicle:

not specified

Test organisms (species):

other: aquatic organisms

Route of exposure:

aqueous

Test type:

not specified

Water / sediment media type:

natural water: freshwater

Reference substance (positive control):

not specified

Type:

BCF

Value:

1 dimensionless

Basis:

whole body w.w.

Calculation basis:

other: no data

Remarks on result:

other: BCF reported at pH range 1-14

Validity criteria fulfilled:

not specified

Conclusions:

From Scifinder, Chemspider database and Using Bio-concentration Factor (v12.1.0.50374) module of ACD lab to determine Bio-concentration Factor over the entire pH scale 1-14 of the test substance 2-[hydroxy(methyl)amino]ethanol estimated to be 1 (dimentionless).

Executive summary:

From Scifinder,Chemspider database and Using Bio-concentration Factor (v12.1.0.50374) module of ACD lab to determine Bio-concentration Factor over the entire pH scale 1-14 of the test substance 2-[hydroxy(methyl)amino]ethanol estimated to be 1 (dimentionless).This value indicates that the test substance 2-[hydroxy(methyl)amino]ethanol found to be non-accumulative in aquatic organisms.

Description of key information

From Scifinder,Chemspider database and Using Bio-concentration Factor (v12.1.0.50374) module of ACD lab to determine Bio-concentration Factor over the entire pH scale 1-14 of the test substance 2-[hydroxy(methyl)amino]ethanol estimated to be 1 (dimentionless).This value indicates that the test substance 2-[hydroxy(methyl)amino]ethanol was likely to be non-accumulative in aquatic organisms.

Key value for chemical safety assessment

BCF (aquatic species):

1 dimensionless

Additional information

Three results including different predicted data from validated models for bioaccumulation (BCF) endpoint of target chemical 2-[hydroxy(methyl)amino]ethanol (Cas no. 34375-28-5) were summarized as follows:

 

First prediction done using ACD (Advanced Chemistry Development)/I-Lab; Algorithm Version: v5.0.0.184 using Bio-concentration Factor (v12.1.0.50374) module and also from Scifinder and chemspider database; 2017 indicate the bio-concentration Factor over the entire pH scale 1-14 of the test substance 2-[hydroxy(methyl)amino]ethanol estimated to be 1 (dimentionless).This value indicates that the test substance 2-[hydroxy(methyl)amino]ethanol found to be non-accumulative in aquatic organisms.

Another validated prediction by BCFBAF (v3.00) model and PBT profiler database indicate the estimated bio concentration factor (BCF) for 2-[hydroxy(methyl)amino]ethanol is 3.2 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that 2-[hydroxy(methyl)amino]ethanol is not expected to bio accumulate in the aquatic environment.

Above all predictions assist by result from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) indicate  the bioaccumulation i.e BCF for test substance 2-[hydroxy(methyl)amino]ethanol was estimated to be 3.14 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 2-[hydroxy(methyl)amino]ethanol non-bioaccumulative in nature as it does not exceed the BCF criteria of 2000.

Thus based on the above information for bioaccumulation endpoint, it can be concluded that the test substance 2-[hydroxy(methyl)amino]ethanol (Cas no. 34375-28-5) is expected to be non Bioaccumulative in aquatic environment as none of the study indicate the 2-[hydroxy(methyl)amino]ethanol exceed the BCF threshold of 2000.