2-ethoxyethylamine

Bioaccumulation: aquatic / sediment

Administrative data

Endpoint:

bioaccumulation: aquatic / sediment

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Scientifically acceptable calculation method; the substance is within the applicability domain of the model.

Data source

Reference

Reference 1

Reference Type:

other: Catalogic calculation

Title:

Unnamed

Year:

2014

Report date:

2014

Reference 2

Reference Type:

publication

Title:

Base-line model for identifying the bioaccumulation potential of chemicals

Author:

Dimitrov S, Dimitrova N, Parkerton T, Comber M, Bonnell M, Mekenyan O

Year:

2005

Bibliographic source:

SAR and QSAR in Environmental Research, 16(6), 1-24

Reference 3

Reference Type:

grey literature

Title:

Discussion paper for the TC NES subgroup on PBTs. Rep. ACHS/06/11A

Author:

Comber M, Robertson S, Sijm DTHM

Year:

2006

Bibliographic source:

EU Commission, Technical Committee on New and Existing Substances (TC NES)

Materials and methods

Test guideline

Qualifier:

no guideline followed

Principles of method if other than guideline:

Calculation using Catalogic v.5.11.9.13, BCF base-line model v.02.07

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

2-ethoxyethylamine

EC Number:

203-801-5

EC Name:

2-ethoxyethylamine

Cas Number:

110-76-9

Molecular formula:

C4H11NO

IUPAC Name:

2-ethoxyethylamine

Test conditions

Details on estimation of bioconcentration:

BASIS FOR CALCULATION OF BCF:
- Estimation software: OASIS Catalogic v5.11.9.13 [BCF base line model - v.02.07]

Results and discussion

Bioaccumulation factor

Bioaccumulation factor 1

Type:

BCF

Value:

13.7

Basis:

whole body w.w.

Remarks on result:

other: considering all mitigating factors; The substance is within the applicability domain of the model.

Bioaccumulation factor 2

Type:

BCF

Value:

22.3

Basis:

whole body w.w.

Remarks on result:

other: without considering any mitigating factors; The substance is within the applicability domain of the model.

Any other information on results incl. tables

DOMAIN APPLICABILITY:

With regard to the parametric, structural and mechanistic domain, the test substance is within the applicability domain of the model. Therefore, the estimation is reliable.

MOLECULE SIZE (Maximum diameter) :

- Minimum: 7.96380 Å

- Maximum: 9.82920 Å

- Average: 8.82450 Å

EFFECTS OF MITIGATING FACTORS:

Mitigation factor	Predicted value		Magnitude of effect* (as log BCF)
	BCF	Log BCF
Without mitigation	22.3	1.3483 ± 0.000	-
Combination of all factors	13.7	1.1352 ± 0.054	0.2133
Acids			0.0000
Metabolism			0.0000
Phenols			0.0000
Molecular size			0.0550
Water solubility			0.1756

* The magnitude of the effect on the BCF by the single mitigating factors should be regarded as tentative information as the factors influence each other. The effect of individual mitigating factors (e.g. metabolism) is calculated as:

Mitigating effect of metabolism = log BCFcorrected(all factors except for metabolism) – log BCFcorrected(all factors)

RESULTS AND DISCUSSION:

The BCF base-line model estimates the BCF to be 13.7 (log BCF = 1.14) taking all mitigating factors into consideration. The maximum BCF was calculated to be 22.3 (log BCF = 1.35). Mitigating factors like metabolism, molecular size and the water solubility were considered by the model. Water solubility had the highest mitigating effect on the bioaccumulation potential.

According to the OECD 305 technical guidance document, the degree of transformation of the parent is decisive for the effect of metabolism (i.e.. the reproduction of subsequent steps is less critical for the prediction of the BCF).

The model considers several factors, e.g. metabolism, water solubility and molecular size, which have the potential to reduce the log BCF as estimated by the model. Water solubility and molecular size are discussed within the literature whether certain threshold values are suitable as cut-off criteria for indication of limited bioaccumulation. Regarding molecular size, the PBT working group on hazardous substances discussed a maximum diameter of > 17.4 Å (Comber et al., 2006).The maximum diameter of 9.8 Å is lower than the critical value; therefore molecular size has no significant reducing effect on the bioaccumulation potential of the substance.

CONCLUSIONS:

- Water solubility and to a minor extent molecular size reduce the bioaccumulation potential

- The substance is not expected to exhibit a significant bioaccumulation potential

- The substance belongs 100% to the applicability domain of the model.