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EC number: 224-207-2 | CAS number: 4246-51-9
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
Description of key information
Not readily biodegradable (according to OECD criteria).
Key value for chemical safety assessment
- Biodegradation in water:
- not biodegradable
- Type of water:
- freshwater
Additional information
Parent compound:
The biodegradability of 3,3'-oxybis(ethyleneoxy)bis(propylamine) (CAS 4246 -51 -9) was determined in a ready biodegradability test according to OECD 301 B (Ready Biodegradability: CO2 Evolution Test) under enhanced test conditions (60 days) using activated sludge from a municipal sewage plant as inoculum. After 60 days, the observed biodegradation degree is less than 20%, therefore the test substance is regarded as not readily biodegradable (BASF SE, 2011; report No. 22G0401/11G051).
The model CATALOGIC 301C v11.15 (OASIS Catalogic v5.13.1.156) was used to predict potential metabolites of 3,3'-oxybis(ethyleneoxy)bis(propylamine) (BASF SE, 2020). The substance was within the applicability domain of the model (100%). The model predicted the substance to be readily biodegradable with a degradation of 70% after 28 days.
Predicted metabolites:
Metabolites (n = 30) from the degradation of 3,3'-oxybis(ethyleneoxy)bis(propylamine) (CAS 4246 -51 -9) were predicted using the QSAR model Catalogic 301C v11.15. The metabolites are identified by their SMILES code. The table below also lists the estimated quantity of appearance from the degradation as well as the log Kow and the biodegradability (BOD prediction). The metabolites with a quantity of > 0.001 mol/mol parent are regarded to be relevant for the environmental assessment. It was attempted to identify the relevant metabolites either via the QSAR Toolbox and/or the advanced search option for substances on the ECHA website. In case a name and/or CAS number was assigned, the PBT/vPvB status according to the ECHA website was checked.
Based on the available information, it can be concluded that all metabolites have a log Kow < 3. Six of the 30 metabolites have a predicted quantity of > 0.001 mol/mol parent and are regarded as relevant for further assessment. All of these relevant metabolites are readily biodegradable (< 60% after 28 days, based on BOD). In addition, all of these 6 metabolites have a log Kow < 3; therefore, a significant bioaccumulation potential is not expected. It can be concluded that these substances are not PBT/vPvB substances.
Their toxicity (T) was not further assessed as no critical combination of potential P/vP (= not readily biodegradable) and potential B/vB (log Kow > 3) properties was observed.
Table: QSAR prediction for CAS-#4246-51-9 using CATALOGIC 301C v11.15 – July 2018 (OASIS CATALOGIC v5.13.1.156; metabolites with a quantity > 0.001 mol/mol parent after 28 d are highlighted by grey background and bold type; metabolite no: according to (Q)SAR model Catalogic v11.15 – July 2018 (OASIS CATALOGIC v5.13.1.156))
# |
Metabolite |
SMILES |
Substance name (CAS) |
Quantity |
LogKow |
BOD prediction (% after 28 d) |
PBT-Assessment |
Parent |
1 |
NCCCOCCOCCOCCCN |
3,3'-oxybis(ethyleneoxy)bis(propylamine) (CAS 4246-51-9) |
0.0000 |
-1.25 |
70 |
not PBT / vPvB |
1 |
2 |
NCCCOCCOCCOC(O)CCN |
not identified |
3.809E-06 |
-3.0 |
76 |
no results found |
2 |
18 |
NCCCOCCOC(O)COCCCN |
not identified |
3.809E-06 |
-3.0 |
82 |
no results found |
3 |
20 |
NCCCOCCOCCOCCC=O |
not identified |
0.0000 |
-1.5 |
64 |
no results found |
4 |
13 |
NCCC=O |
3-Aminopropionaldehyde (CAS 352-92-1) |
1.521E-05 |
-1.1 |
68 |
no results found |
5 |
6 |
NCCCOCC=O |
not identified |
1.222E-05 |
-1.4 |
82 |
no results found |
6 |
3 |
NCCCOCCOCCO |
2-[2-(3-aminopropoxy)ethoxy]ethanol (CAS 112-33-4) |
4.213E-06 |
-1.7 |
80 |
not PBT / vPvB |
7 |
19 |
NCCCOCCO |
2-(3-Aminopropoxy)ethanol (CAS 99513-01-6) |
4.213E-06 |
-1.4 |
82 |
no results found |
8 |
21 |
NCCCOCCOCCOCCC(O)=O |
not identified |
0.0764 |
-4.4 |
63 |
no results found |
9 |
14 |
NCCC(O)=O |
β-alanine (CAS 107-95-9) |
5.708E-01 |
-4.1 |
62 |
not PBT / vPvB |
10 |
7 |
NCCCOCC(O)=O |
(3-Aminopropoxy)acetic acid (CAS 61108-70-1) |
0.1221 |
-4.4 |
80 |
no results found |
11 |
4 |
NCCCOCCOCC=O |
not identified |
4.213E-06 |
-1.7 |
80 |
no results found |
12 |
22 |
CCOCCOCCOCCCN |
3-[2-(2-Ethoxyethoxy)ethoxy]-1-propanamin (CAS 26383-45-9) |
1.618E-13 |
-0.5 |
79 |
no results found |
13 |
8 |
OCC(O)=O |
Glycollic acid (CAS 79-14-1) |
0.0000 |
-1.1 |
100 |
not PBT / vPvB |
14 |
15 |
OC(=O)CC=O |
Malonic semialdehyde (CAS 926-61-4) |
9.503E-06 |
-0.9 |
100 |
no results found |
15 |
5 |
NCCCOCCOCC(O)=O |
not identified |
4.212E-02 |
-4.6 |
79 |
no results found |
16 |
23 |
CCOCCOCCOC(O)CCN |
not identified |
0.0000 |
-2.0 |
80 |
no results found |
17 |
31 |
CCOCCOC(O)COCCCN |
not identified |
0.0000 |
-2.0 |
86 |
no results found |
18 |
33 |
CCOCC(O)OCCOCCCN |
not identified |
4.045E-07 |
-2.0 |
86 |
no results found |
19 |
34 |
CC(O)OCCOCCOCCCN |
not identified |
0.0000 |
-2.0 |
85 |
no results found |
20 |
9 |
OC(=O)C=O |
Glyoxylic acid (CAS 298-12-4) |
1.621E-05 |
-1.4 |
100 |
not PBT / vPvB |
21 |
16 |
OC(=O)CC(O)=O |
Malonic acid (141-82-2) |
0.0000 |
-1.2 |
100 |
not PBT / vPvB |
22 |
29 |
CC=O |
Acetaldehyde (CAS 75-07-0) |
1.460E-06 |
-0.2 |
100 |
not PBT / vPvB |
23 |
27 |
CCOCC=O |
2-Ethoxyacetaldehyde (CAS 22056-82-2) |
1.173E-06 |
-0.4 |
92 |
no results found |
24 |
24 |
CCOCCOCCO |
2-(2-ethoxyethoxy)ethanol (CAS 111-90-0) |
4.045E-07 |
-0.7 |
86 |
not PBT / vPvB |
25 |
32 |
CCOCCO |
2-ethoxyethanol (CAS 110-80-5) |
4.045E-07 |
-0.4 |
92 |
not PBT / vPvB |
26 |
10 |
OC(=O)C(O)=O |
Oxalic acid (CAS 144-62-7) |
1.621E-05 |
-1.7 |
100 |
not PBT / vPvB |
27 |
30 |
CC(O)=O |
Acetic acid (CAS 64-19-7) |
0.0000 |
0.1 |
100 |
not PBT / vPvB |
28 |
28 |
CCOCC(O)=O |
Ethoxyacetic acid (CAS 627-03-2) |
1.173E-02 |
-0.2 |
90 |
no results found |
29 |
25 |
CCOCCOCC=O |
2-(2-Aminoethoxy)ethanol (CAS 929-37-3) |
4.045E-07 |
-0.7 |
86 |
no results found |
30 |
26 |
CCOCCOCC(O)=O |
2-(2-ethoxyethoxy)acetic acid (CAS 7743-94-4) |
4.043E-03 |
-0.5 |
85 |
no results found |
(metabolites which are predicted at quantity >0.001 after 28 d are highlighted in grey and written in bold letters)
(metabolite no: according to (Q)SAR model CATALOGIC 301C v11.15 – July 2018 (OASIS CATALOGIC v5.13.1.156))
Conclusion:
The substance is considered to be not readily biodegradable (according to OECD criteria).
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