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EC number: 272-712-1 | CAS number: 68909-77-3 The residuum from the reaction of diethylene glycol and ammonia. It consists predominantly of morpholine-based derivatives such as [(aminoethoxy)ethyl]morpholine, [(hydroxyethoxy)ethyl]morpholine, 3-morpholinone, and 4,4'-(oxydi-2,1-ethanediyl)bis[morpholine].
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Significant accumulation in organisms is not to be expected.
Key value for chemical safety assessment
Additional information
In accordance with column 2 of REACH Annex IX, the study does not need to be conducted since all major components of the mixture"ethanol, 2,2'-oxybis-, reaction products with ammonia, morpholine derivs. residues" (CAS 68909-77-3) have a log Kow less or equal than 3, ranging from -2.26 to 0.5 (see IUCLID chapter 4.7). The major components of the mixtures are:
- 111-46-6 (>= 0 - <= 10%)
- 109-11-5 (>= 0 - <= 5%)
- 3603-45-0 (>= 5 - <= 30%)
- 20207-13-0 (>= 5 - <= 30%)
- 1723-94-0 (>= 1 - <= 10%)
- 6425-39-4 (>= 5 - <= 30%)
- 54384-47-3 (>= 1 - <= 30%)
For two major components of the mixture there are experimental data on the bioaccumulation potential available. In a static test with 14C-labelled test material and Leuciscus idus melanotus as test species (no guideline specified), the BCF of diethylene glycol (CAS 111-46-6) was determined to be 100 L/kg after 3 days of exposure (Freitag et al., 1985).
In a GLP study conducted similarly to OECD 305C, the BCF of bis(2-morpholinoethyl)-ether (CAS 6425-39-4) was found to be in a range of 2.9 – 3.1 L/kg after 4 weeks; the test species was Cyprinus carpio (untitled study report, 1995; cited in ECHA’s database for registered substances.
In order to additionally assess the bioaccumulation potential of the remaining major components of the mixture, the BCF was calculated with the estimation models BCFBAF v3.01 (EPISuite v4.11) and BCF baseline model v02.09 (OASIS Catalogic v5.11.17). The table below lists the estimated BCF values and basic information on the applicability domain (AD). Detailed information on the model’s results and the AD are given in the endpoint study records of IUCLID Chapter 5.3.1. The selected models comply with the OECD principles for (Q)SAR models.
Summary of relevant information on aquatic bioaccumulation: Predicted BCF values for applied QSAR models (AD = Applicability Domain):
Component |
Model |
BCF |
In AD |
Restraints |
CAS# 109-11-5 |
BCFBAF v3.01 (EPI Suite v4.11): Meylan et al. 1997/1999 |
3.2 |
yes |
- |
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation |
0.9 |
yes |
- |
|
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation of zero |
0.9 |
yes |
- |
|
BCF baseline model v.02.09 (OASIS Catalogic v5.11.17): incl. mitigating factors |
2.4 |
no |
not within the structural domain (14.29% unknown fragments). |
|
BCF baseline model v.02.09 (OASIS Catalogic v5.11.17): not considering mitigating factors |
9.3 |
no |
not within the structural domain (14.29% unknown fragments). |
|
CAS# 20207-13-0 |
BCFBAF v3.01 (EPI Suite v4.11): Meylan et al. 1997/1999 |
3.2 |
yes |
- |
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation |
0.9 |
no |
As the substance ionizes at physiologically relevant pH, the estimation may be less accurate. |
|
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation of zero |
0.9 |
no |
As the substance ionizes at physiologically relevant pH, the estimation may be less accurate. |
|
BCF baseline model v.02.09 (OASIS Catalogic v5.11.17): incl. mitigating factors |
2.5 |
no |
not within the structural domain (14.29% unknown fragments). |
|
BCF baseline model v.02.09 (OASIS Catalogic v5.11.17): not considering mitigating factors |
9.3 |
no |
not within the structural domain (14.29% unknown fragments). |
|
CAS# 3603-45-0 |
BCF baseline model v.02.09 (OASIS Catalogic v5.11.17): incl. mitigating factors |
3.2 |
yes |
- |
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation |
0.9 |
no |
As the substance ionizes at physiologically relevant pH, the estimation may be less accurate. |
|
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation of zero |
0.9 |
no |
As the substance ionizes at physiologically relevant pH, the estimation may be less accurate. |
|
BCF baseline model v.02.09 (OASIS Catalogic v5.11.17): incl. mitigating factors |
2.3 |
yes |
- |
|
BCF baseline model v.02.09 (OASIS Catalogic v5.11.17): not considering mitigating factors |
9.2 |
yes |
- |
|
CAS# 1723-94-0 |
BCF baseline model v.02.09 (OASIS Catalogic v5.11.17): incl. mitigating factors |
3.2 |
yes |
- |
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation |
0.9 |
no |
As the substance ionizes at physiologically relevant pH, the estimation may be less accurate. |
|
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation of zero |
0.9 |
no |
As the substance ionizes at physiologically relevant pH, the estimation may be less accurate. |
|
BCF baseline model v.02.09 (OASIS Catalogic v5.11.17): incl. mitigating factors |
2.0 |
yes |
- |
|
BCF baseline model v.02.09 (OASIS Catalogic v5.11.17): not considering mitigating factors |
9.3 |
yes |
- |
|
CAS# 54384-47-3 |
BCF baseline model v.02.09 (OASIS Catalogic v5.11.17): incl. mitigating factors |
3.2 |
yes |
- |
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation |
0.9 |
no |
As the substance ionizes at physiologically relevant pH, the estimation may be less accurate. |
|
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation of zero |
0.9 |
no |
As the substance ionizes at physiologically relevant pH, the estimation may be less accurate. |
|
BCF baseline model v.02.09 (OASIS Catalogic v5.11.17): incl. mitigating factors |
2.3 |
yes |
- |
|
BCF baseline model v.02.09 (OASIS Catalogic v5.11.17): not considering mitigating factors |
9.2 |
yes |
- |
Considering both estimation models applied, the estimated BCF values of the remaining five major components of range from 0.9 to 9.3 L/kg.
Based on the available information on the log Kow of the major components of the mixture"ethanol, 2,2'-oxybis-, reaction products with ammonia, morpholine derivs. residues" (CAS 68909-77-3) ranging from -2.26 to 0.5 (see IUCLID chapter 4.7) and supported by a weight-of-evidence approach from experimental and additional calculated data, it can be concluded that significant accumulation in organisms is not to be expected.
QSAR-disclaimer:
In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met. Furthermore according to Article 25 of the same Regulation testing on vertebrate animals shall be undertaken only as a last resort.
According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.
For the assessment of mixture"ethanol, 2,2'-oxybis-, reaction products with ammonia, morpholine derivs. residues" (CAS 68909-77-3)(Q)SAR results were used for aquatic bioaccumulation. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment.
Therefore, and for reasons of animal welfare, further experimental studies on aquatic bioaccumulation are not provided.
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