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EC number: 203-142-3 | CAS number: 103-76-4
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
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
Additional information
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.
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 2-piperazin-1-ylethanol(CAS 103 -76 -4) (Q)SAR results were used for aerobic biodegradability in water.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, further experimental studies on aerobic biodegradability in water are not provided.
Parent compound:
The assessment of the biodegradation potential of 2 -piperazine-1-ylethanol (CAS 103-76-4) is based on the following weight-of-evidence approach:
Experimental data:
- Ready biodegradability in seawater: In a guideline study conducted according to OECD TG 306 Eide-Haugmo et al. (2009) tested the biodegradability the test item under saline conditions, with natural seawater as inoculum. Degradation is reported to be <10% after 28 days, based on O2 consumption.
Calculated data:
- CATALOGIC 301C v11.15 estimation model (OASIS Catalogic v5.13.1.156): Biodegradation of the test item is calculated to be 28% after 28 days on the basis of O2 consumption. The substance is 100% within the applicability domain of the model (BASF SE, 2020).
- CATALOGIC Kinetic 301B v02.09 estimation model (OASIS Catalogic v5.13.1.156): Biodegradation of the test item is calculated to be 9.7% after 28 days on the basis of O2 evolution. The substance is 100% within the applicability domain of the model (BASF SE, 2020).
- CATALOGIC Kinetic 301F v13.16 estimation model (OASIS Catalogic v5.13.1.156): Based on BOD, the biodegradation of the test item is calculated to be 9% after 28 days. The substance is 100% within the applicability domain of the model (BASF SE, 2020).
The model CATALOGIC 301C v11.15 (OASIS Catalogic v5.13.1.156) was also used to predict potential metabolites of 2-piperazin-1-ylethanol(CAS 103 -76 -4; BASF SE, 2020).
Predicted metabolites:
Metabolites (n = 20) from the degradation of 2-piperazin-1-ylethanol (CAS 103 -76 -4) 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. Seven of the 20 metabolites have a predicted quantity of > 0.001 mol/mol parent and are regarded as relevant for further assessment. Less than half of these metabolites (3/7) are not readily biodegradable (< 60% after 28 days, based on BOD), but all of these 7 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-#103 -76 -4 using CATALOGIC 301C v11.15 – July 2018 (OASIS CATALOGIC v5.13.1.156; metabolites with a quantity > 0.001 mol/mol parent (approx. 0.1%) 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 |
PBT-Assessment |
parent |
1 |
OCCN1CCNCC1 |
|
0.000010 |
-1.47 |
28 |
not checked |
1 |
2 |
O=CCN1CCNCC1 |
not identified |
0.000010 |
-1.586 |
28 |
not checked |
2 |
3 |
OC(=O)CN1CCNCC1 |
2-piperazin-1-ylacetic acid |
0.006192 |
-3.357 |
22 |
not (pre-)registered |
3 |
4 |
OC(=O)C=O |
Glyoxylic acid (CAS 298-12-4) |
0.007177 |
-1.403 |
100 |
not PBT / vPvB |
4 |
8 |
C1CNCCN1 |
Piperazine (CAS 110-85-0) |
0.975300 |
-0.799 |
1 |
not PBT / vPvB |
5 |
15 |
OC1CNCCN1CC(O)=O |
not identified |
0.000000 |
-3.897 |
81 |
not checked |
6 |
18 |
OC(C(O)=O)N1CCNCC1 |
not identified |
0.000030 |
-3.585 |
15 |
not checked |
7 |
19 |
OC1CN(CC(O)=O)CCN1 |
not identified |
0.000002 |
-3.897 |
58 |
not checked |
8 |
5 |
OC(=O)C(O)=O |
not identified |
0.000010 |
-1.736 |
100 |
not checked |
9 |
9 |
OC1CNCCN1 |
not identified |
0.000052 |
-2.337 |
75 |
not checked |
10 |
16 |
OC(=O)CNCCNCC=O |
not identified |
0.000000 |
-4.454 |
81 |
not checked |
11 |
20 |
NCCN(CC=O)CC(O)=O |
not identified |
0.000000 |
-4.709 |
22 |
not checked |
12 |
10 |
NCCNCC=O |
not identified |
0.000000 |
-2.151 |
76 |
not checked |
13 |
17 |
OC(=O)CNCCNCC(O)=O |
not identified |
0.000046 |
-4.788 |
80 |
not checked |
14 |
21 |
NCCN(CC(O)=O)CC(O)=O |
not identified |
0.000898 |
-4.043 |
14 |
not checked |
15 |
11 |
NCCNCC(O)=O |
2-(2-aminoethylamino)acetic acid |
0.007845 |
-3.922 |
73 |
not (pre-)registered |
16 |
22 |
OC(=O)CN(CC=O)CC(O)=O |
|
0.000000 |
-4.061 |
11 |
not checked |
17 |
12 |
NCCN |
1,2-Ethanediamine (CAS 107-15-3) |
0.001139 |
-1.618 |
67 |
not PBT / vPvB |
18 |
23 |
OC(=O)CN(CC(O)=O)CC(O)=O |
2-[bis(carboxymethyl)amino]acetic acid |
0.001473 |
-3.809 |
2 |
not (pre-)registered |
19 |
13 |
NCC=O |
2-aminoacetaldehyde |
0.006952 |
-1.637 |
72 |
not (pre-)registered |
20 |
24 |
OC(=O)CNCC(O)=O |
not identified |
0.000023 |
-3.274 |
81 |
not checked |
Conclusion:
Based on a weight-of-evidence approach by the available experimental and estimated data, 2 -piperazine-1-ylethanol (CAS 103-76-4) is assessed to be not readily biodegradable according to OECD criteria.
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