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Environmental fate & pathways

Biodegradation in water and sediment: simulation tests

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Endpoint:
biodegradation in water: simulation testing on ultimate degradation in surface water
Remarks:
Prediction of degradation products using CATALOGIC v.5.14.1.5 BOD 28 days MITI (OECD 301C) v.11.16
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2021
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
Justification for type of information
1. SOFTWARE
OASIS Catalogic v.5.14.1.5

2. MODEL (incl. version number)
CATALOGIC 301C v.11.16

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See section 'Test Material'.

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.

5. APPLICABILITY DOMAIN
See attached QPRF.

6. ADEQUACY OF THE RESULT
- The model is scientifically valid (see attached QMRF).
- The model estimates the biodegradability of a substance as well as its primary half-life, ultimate half-life, and its metabolites and their quantitative distribution.
Information on the degradation products are required for substances manufactured or imported in quantities of > 100 t/y or more. According to column 2 of REACH Annex IX, testing is not required if the substance is highly insoluble in water, or the substance is readily biodegradable.
- See attached QPRF for reliability assessment.
Principles of method if other than guideline:
Estimation of ready biodegradation and degradation products using CATALOGIC v.5.14.5 BOD 28 days MITI (OECD 301C) v.11.16
GLP compliance:
no
Oxygen conditions:
aerobic
Key result
Remarks on result:
other: The applied QSAR model was used to predict the identity and quantity of the degradation products of the substance.
Transformation products:
yes

Concomitant predictions :

Not ready degradable

Primary Half Life = 9.72 days

Ultimate Half Life = 1m 5d

Predicted value (model result): O2 -consumption (BOD) = 0.42 ± 0.0317

Predicted metabolites:

Table: QSAR prediction for CAS 1761 -71 -3 using CATALOGIC 301C v11.16 (OASIS CATALOGIC v5.14.1.5; 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 v11.16)

# Metabolite
(no)		 Smiles Quantity
(mol/mol parent)		 LogKow BOD prediction
(% after 28 d)
1 11 NC1CCC(CC(O)(CC(O)=O)C(O)=O)CC1 0,2413 -3 53
2 23 C=C 0,1722 1 10
3 14 NC1CCC(O)(CC(O)=O)CC1 0,1639 -3 55
4 parent NC1CCC(CC2CCC(N)CC2)CC1 0,1358 2 42
5 15 NC1CCC(=O)CC1 0,1302 -0,419 38
6 3 NC1CCC(CC2CCC(=O)OCC2)CC1 0,09323 2 61
7 17 O=C1CCC(=O)CCO1 0,02389 0,434 53
8 19 OC(=O)CCC(O)=O 0,01969 -0,754 90
9 42 NC1CCC(CCC(O)=O)CC1 0,002273 -1 67
10 56 NC1CCC(CC(CCC(N)CO)C(O)=O)CC1 0,001727 -3 60
11 68 NC1CCC(CC=O)CC1 0,001571 1 60
12 54 NC1CCC(CC(=O)CC(O)=O)COC1=O 0,001571 -5 73
13 58 NC(CCCCC1CCC(=O)CC1)CO 0,001571 0,99 74
14 59 NC1CCC(CCCCC(=O)CO)CC1 0,001571 2 76
15 16 O=C1CCC(=O)CC1 0,001552 -0,924 56
16 79 NC(CCC(O)CC(=O)CC(O)=O)CC(O)=O 0,001396 -6 82
17 32 NC1CCC(CC2CCC(N)C(=O)OC2)CC1 0,0008525 0,766 52
18 61 NC1CCC(CC(O)CCC(N)CC(O)=O)CC1 0,0007579 -3 47
19 67 NC1CCC(CC(O)C(O)=O)CC1 0,0007417 -3 51
20 53 NC1CCC(CC(O)(CC(O)=O)C(O)=O)COC1=O 0,0007417 -6 59
21 80 NC1CCC(CC2CCC(N)OC(=O)C2)CC1 0,000672 3 59
22 60 NC1CCC(CC2CCC(N)CC(=O)O2)CC1 0,000672 0,766 51
23 55 NC1CCC(CC2CCC(N)COC2=O)CC1 0,000672 0,766 53
24 78 NC(CCC(O)CC(O)(CC(O)=O)C(O)=O)CC(O)=O 0,0006594 -5 63
25 57 NC(CCCCC1CCC(N)CC1)CO 0,0005148 1 58
26 33 NC1CCC(CC2CCC(=O)C(=O)OC2)CC1 0,0002887 2 78
27 45 NC1CCC(CC2CCC(=O)OCC2)COC1=O 0,0002887 -0,1892 68
28 70 NC(CCC(O)CC1CCC(=O)OCC1)CC(O)=O 0,0002567 -3 67
29 41 NC1CCC(CC(C(O)=O)C(O)=O)CC1 3,95E-05 -3 71
30 49 NC1CCC(CC(CC(O)=O)C=CC(O)=O)COC1=O 0 -4 69
31 62 NC1CCC(CC(O)CCC(=O)CC(O)=O)CC1 0 -3 68
32 34 NC1CCC(CC(CCC(=O)C(O)=O)CO)CC1 0 0,399 78
33 38 NC1CCC(CC(C=CC(O)=O)C(O)=O)CC1 0 -2 77
34 9 NC1CCC(CC(CC(O)=O)C(=O)CC(O)=O)CC1 0 -3 62
35 66 NC1CCC(CC(O)C(=O)CC(O)=O)CC1 0 -3 60
36 2 NC1CCC(CC2CCC(=O)CC2)CC1 0 3 62
37 4 NC1CCC(CC(CCC(O)=O)CCO)CC1 0 -0,98 65
38 81 NC1CCC(CC(CCC(N)O)CC(O)=O)CC1 0 -3 65
39 82 NC1CCC(CC(CCC=O)CC(O)=O)CC1 0 -1 65
40 69 NC(CCC(O)CC1CCC(=O)CC1)CC(O)=O 0 -3 68
41 44 NC1CCC(CC2CCC(=O)CC2)COC1=O 0 0,2604 69
42 65 NC1CCC(CC(O)C(O)CC(O)=O)CC1 0 -3 60
43 64 NC1CCC(CC(O)C=CC(O)=O)CC1 0 -0,677 62
44 47 NC1CCC(CC(CCC(O)=O)CC=O)COC1=O 0 -4 70
45 48 NC1CCC(CC(CCC(O)=O)CC(O)=O)COC1=O 0 -4 69
46 37 NC1CCC(CC(CCC(O)=O)C(O)=O)CC1 0 -2 77
47 72 NC(CCC(O)CC(CCC(O)=O)CC=O)CC(O)=O 0 -4 73
48 73 NC(CCC(O)CC(CCC(O)=O)CC(O)=O)CC(O)=O 0 -4 72
49 50 NC1CCC(CC(CC(O)=O)C(O)CC(O)=O)COC1=O 0 -5 68
50 39 NC1CCC(CC(C(O)CC(O)=O)C(O)=O)CC1 0 -3 76
51 8 NC1CCC(CC(CC(O)=O)C(O)CC(O)=O)CC1 0 -3 62
52 71 NC(CCC(O)CC(CCC(O)=O)CCO)CC(O)=O 0 -4 73
53 10 NC1CCC(CC(CC(O)=O)C(O)=O)CC1 0 -2 55
54 63 NC1CCC(CC(O)CCC(O)=O)CC1 0 -2 62
55 28 OC(=O)C=O 0 -1 100
56 52 NC1CCC(CC(CC(O)=O)C(O)=O)COC1=O 0 -5 61
57 40 NC1CCC(CC(C(=O)CC(O)=O)C(O)=O)CC1 0 -4 76
58 26 OCC=O 0 -2 100
59 27 OCC(O)=O 0 -1 100
60 18 C=CC(=O)CCC(O)=O 0 0,1537 60
61 24 C1CO1 0 -0,0454 100
62 12 NC1CCC(CC(=O)CC(O)=O)CC1 0 -3 66
63 75 NC(CCC(O)CC(CC(O)=O)C(O)CC(O)=O)CC(O)=O 0 -5 71
64 51 NC1CCC(CC(CC(O)=O)C(=O)CC(O)=O)COC1=O 0 -6 68
65 74 NC(CCC(O)CC(CC(O)=O)C=CC(O)=O)CC(O)=O 0 -4 72
66 29 OC(=O)C(O)=O 0 -2 100
67 6 NC1CCC(CC(CCC(O)=O)CC(O)=O)CC1 0 -1 64
68 31 CC(O)=O 0 0,0868 100
69 35 NC1CCC(CC(CCC(=O)C(O)=O)C=O)CC1 0 0,3744 78
70 46 NC1CCC(CC(CCC(O)=O)CCO)COC1=O 0 -3 70
71 36 NC1CCC(CC(CCC(=O)C(O)=O)C(O)=O)CC1 0 -3 78
72 7 NC1CCC(CC(CC(O)=O)C=CC(O)=O)CC1 0 -2 64
73 76 NC(CCC(O)CC(CC(O)=O)C(=O)CC(O)=O)CC(O)=O 0 -6 71
74 13 NC1CCC(CC(O)=O)CC1 0 -2 58
75 25 OCCO 0 -1 100
76 5 NC1CCC(CC(CCC(O)=O)CC=O)CC1 0 -1 65
77 20 CCC(O)=O 0 0,578 100
78 77 NC(CCC(O)CC(CC(O)=O)C(O)=O)CC(O)=O 0 -5 64

Metabolites with a quantity < 0.001 mol/mol parent after 28 d are not considered being relevant for the PBT/vPvB assessment and, therefore their PBT/vPvB status and BCF value were not assessed.

 

Conclusion:

Overall predicted metabolites: 77 metabolits

15 metabolites: quantity > 0.001; thereof: 9 RBD and 15 log Kow <3.

Metabolite No. 23 (BOD 10%) is identified as ethylene (CAS 74 -85-1). The results of the BioHCwin for ethylene indicate a half-life of 2.91 days and is therefore also considered as not P/vP.

All relevant predicted metabolites are neither PBT nor vP/vB

T: not assessed as no critical combination nRBD (~P/vP) plus log Kow >3 (~B/vB)

Endpoint:
biodegradation in water: simulation testing on ultimate degradation in surface water
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
other:
Reason / purpose for cross-reference:
data waiving: supporting information
Endpoint:
biodegradation in water: sediment simulation testing
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because direct and indirect exposure of sediment is unlikely
other:
Reason / purpose for cross-reference:
data waiving: supporting information
Endpoint:
biodegradation in water: sediment simulation testing
Remarks:
Prediction of degradation products using CATALOGIC v.5.14.1.5 BOD 28 days MITI (OECD 301C) v.11.16
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2021
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
Justification for type of information
1. SOFTWARE
OASIS Catalogic v.5.14.1.5

2. MODEL (incl. version number)
CATALOGIC 301C v.11.16

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See section 'Test Material'.

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.

5. APPLICABILITY DOMAIN
See attached QPRF.

6. ADEQUACY OF THE RESULT
- The model is scientifically valid (see attached QMRF).
- The model estimates the biodegradability of a substance as well as its primary half-life, ultimate half-life, and its metabolites and their quantitative distribution.
Information on the degradation products are required for substances manufactured or imported in quantities of > 100 t/y or more. According to column 2 of REACH Annex IX, testing is not required if direct or indirect exposure of sediment is unlikely, or the substance is readily biodegradable.
- See attached QPRF for reliability assessment.
Principles of method if other than guideline:
Estimation of ready biodegradation and degradation products using CATALOGIC v.5.14.5 BOD 28 days MITI (OECD 301C) v.11.16
GLP compliance:
no
Oxygen conditions:
aerobic
Key result
Remarks on result:
other: The applied QSAR model was used to predict the identity and quantity of the degradation products of the substance.
Transformation products:
yes

Concomitant predictions :

Not ready degradable

Primary Half Life = 9.72 days

Ultimate Half Life = 1m 5d

Predicted value (model result): O2 -consumption (BOD) = 0.42 ± 0.0317

Predicted metabolites:

Table: QSAR prediction for CAS 1761 -71 -3 using CATALOGIC 301C v11.16 (OASIS CATALOGIC v5.14.1.5; 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 v11.16)

# Metabolite
(no)		 Smiles Quantity
(mol/mol parent)		 LogKow BOD prediction
(% after 28 d)
1 11 NC1CCC(CC(O)(CC(O)=O)C(O)=O)CC1 0,2413 -3 53
2 23 C=C 0,1722 1 10
3 14 NC1CCC(O)(CC(O)=O)CC1 0,1639 -3 55
4 parent NC1CCC(CC2CCC(N)CC2)CC1 0,1358 2 42
5 15 NC1CCC(=O)CC1 0,1302 -0,419 38
6 3 NC1CCC(CC2CCC(=O)OCC2)CC1 0,09323 2 61
7 17 O=C1CCC(=O)CCO1 0,02389 0,434 53
8 19 OC(=O)CCC(O)=O 0,01969 -0,754 90
9 42 NC1CCC(CCC(O)=O)CC1 0,002273 -1 67
10 56 NC1CCC(CC(CCC(N)CO)C(O)=O)CC1 0,001727 -3 60
11 68 NC1CCC(CC=O)CC1 0,001571 1 60
12 54 NC1CCC(CC(=O)CC(O)=O)COC1=O 0,001571 -5 73
13 58 NC(CCCCC1CCC(=O)CC1)CO 0,001571 0,99 74
14 59 NC1CCC(CCCCC(=O)CO)CC1 0,001571 2 76
15 16 O=C1CCC(=O)CC1 0,001552 -0,924 56
16 79 NC(CCC(O)CC(=O)CC(O)=O)CC(O)=O 0,001396 -6 82
17 32 NC1CCC(CC2CCC(N)C(=O)OC2)CC1 0,0008525 0,766 52
18 61 NC1CCC(CC(O)CCC(N)CC(O)=O)CC1 0,0007579 -3 47
19 67 NC1CCC(CC(O)C(O)=O)CC1 0,0007417 -3 51
20 53 NC1CCC(CC(O)(CC(O)=O)C(O)=O)COC1=O 0,0007417 -6 59
21 80 NC1CCC(CC2CCC(N)OC(=O)C2)CC1 0,000672 3 59
22 60 NC1CCC(CC2CCC(N)CC(=O)O2)CC1 0,000672 0,766 51
23 55 NC1CCC(CC2CCC(N)COC2=O)CC1 0,000672 0,766 53
24 78 NC(CCC(O)CC(O)(CC(O)=O)C(O)=O)CC(O)=O 0,0006594 -5 63
25 57 NC(CCCCC1CCC(N)CC1)CO 0,0005148 1 58
26 33 NC1CCC(CC2CCC(=O)C(=O)OC2)CC1 0,0002887 2 78
27 45 NC1CCC(CC2CCC(=O)OCC2)COC1=O 0,0002887 -0,1892 68
28 70 NC(CCC(O)CC1CCC(=O)OCC1)CC(O)=O 0,0002567 -3 67
29 41 NC1CCC(CC(C(O)=O)C(O)=O)CC1 3,95E-05 -3 71
30 49 NC1CCC(CC(CC(O)=O)C=CC(O)=O)COC1=O 0 -4 69
31 62 NC1CCC(CC(O)CCC(=O)CC(O)=O)CC1 0 -3 68
32 34 NC1CCC(CC(CCC(=O)C(O)=O)CO)CC1 0 0,399 78
33 38 NC1CCC(CC(C=CC(O)=O)C(O)=O)CC1 0 -2 77
34 9 NC1CCC(CC(CC(O)=O)C(=O)CC(O)=O)CC1 0 -3 62
35 66 NC1CCC(CC(O)C(=O)CC(O)=O)CC1 0 -3 60
36 2 NC1CCC(CC2CCC(=O)CC2)CC1 0 3 62
37 4 NC1CCC(CC(CCC(O)=O)CCO)CC1 0 -0,98 65
38 81 NC1CCC(CC(CCC(N)O)CC(O)=O)CC1 0 -3 65
39 82 NC1CCC(CC(CCC=O)CC(O)=O)CC1 0 -1 65
40 69 NC(CCC(O)CC1CCC(=O)CC1)CC(O)=O 0 -3 68
41 44 NC1CCC(CC2CCC(=O)CC2)COC1=O 0 0,2604 69
42 65 NC1CCC(CC(O)C(O)CC(O)=O)CC1 0 -3 60
43 64 NC1CCC(CC(O)C=CC(O)=O)CC1 0 -0,677 62
44 47 NC1CCC(CC(CCC(O)=O)CC=O)COC1=O 0 -4 70
45 48 NC1CCC(CC(CCC(O)=O)CC(O)=O)COC1=O 0 -4 69
46 37 NC1CCC(CC(CCC(O)=O)C(O)=O)CC1 0 -2 77
47 72 NC(CCC(O)CC(CCC(O)=O)CC=O)CC(O)=O 0 -4 73
48 73 NC(CCC(O)CC(CCC(O)=O)CC(O)=O)CC(O)=O 0 -4 72
49 50 NC1CCC(CC(CC(O)=O)C(O)CC(O)=O)COC1=O 0 -5 68
50 39 NC1CCC(CC(C(O)CC(O)=O)C(O)=O)CC1 0 -3 76
51 8 NC1CCC(CC(CC(O)=O)C(O)CC(O)=O)CC1 0 -3 62
52 71 NC(CCC(O)CC(CCC(O)=O)CCO)CC(O)=O 0 -4 73
53 10 NC1CCC(CC(CC(O)=O)C(O)=O)CC1 0 -2 55
54 63 NC1CCC(CC(O)CCC(O)=O)CC1 0 -2 62
55 28 OC(=O)C=O 0 -1 100
56 52 NC1CCC(CC(CC(O)=O)C(O)=O)COC1=O 0 -5 61
57 40 NC1CCC(CC(C(=O)CC(O)=O)C(O)=O)CC1 0 -4 76
58 26 OCC=O 0 -2 100
59 27 OCC(O)=O 0 -1 100
60 18 C=CC(=O)CCC(O)=O 0 0,1537 60
61 24 C1CO1 0 -0,0454 100
62 12 NC1CCC(CC(=O)CC(O)=O)CC1 0 -3 66
63 75 NC(CCC(O)CC(CC(O)=O)C(O)CC(O)=O)CC(O)=O 0 -5 71
64 51 NC1CCC(CC(CC(O)=O)C(=O)CC(O)=O)COC1=O 0 -6 68
65 74 NC(CCC(O)CC(CC(O)=O)C=CC(O)=O)CC(O)=O 0 -4 72
66 29 OC(=O)C(O)=O 0 -2 100
67 6 NC1CCC(CC(CCC(O)=O)CC(O)=O)CC1 0 -1 64
68 31 CC(O)=O 0 0,0868 100
69 35 NC1CCC(CC(CCC(=O)C(O)=O)C=O)CC1 0 0,3744 78
70 46 NC1CCC(CC(CCC(O)=O)CCO)COC1=O 0 -3 70
71 36 NC1CCC(CC(CCC(=O)C(O)=O)C(O)=O)CC1 0 -3 78
72 7 NC1CCC(CC(CC(O)=O)C=CC(O)=O)CC1 0 -2 64
73 76 NC(CCC(O)CC(CC(O)=O)C(=O)CC(O)=O)CC(O)=O 0 -6 71
74 13 NC1CCC(CC(O)=O)CC1 0 -2 58
75 25 OCCO 0 -1 100
76 5 NC1CCC(CC(CCC(O)=O)CC=O)CC1 0 -1 65
77 20 CCC(O)=O 0 0,578 100
78 77 NC(CCC(O)CC(CC(O)=O)C(O)=O)CC(O)=O 0 -5 64

Metabolites with a quantity < 0.001 mol/mol parent after 28 d are not considered being relevant for the PBT/vPvB assessment and, therefore their PBT/vPvB status and BCF value were not assessed.

 

Conclusion:

Overall predicted metabolites: 77 metabolits

15 metabolites: quantity > 0.001; thereof: 9 RBD and 15 log Kow <3.

Metabolite No. 23 (BOD 10%) is identified as ethylene (CAS 74 -85-1). The results of the BioHCwin for ethylene indicate a half-life of 2.91 days and is therefore also considered as not P/vP.

All relevant predicted metabolites are neither PBT nor vP/vB

T: not assessed as no critical combination nRBD (~P/vP) plus log Kow >3 (~B/vB)

Description of key information

No data are available on degradation rates in surface water and sediment; therefore, the substance is regarded as P/vP from a precautionary point of view.


Degradation products were predicted using a QSAR model. 9 of 15 relevant degradation products are readily biodegradable.

Key value for chemical safety assessment

Additional information

 


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 labelling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.


For the assessment of the substance, (Q)SAR results were used for the prediction of potential degradation products. 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, experimental simulation testing in water and sediment is not provided.


 


Assessment:


The ready biodegradability of the substance was assessed using a QSAR model CATALOGIC Kinetic OECD 301C v.11.16. The substance was within the applicability domains of the model. The substance was predicted to be not readily biodegradable (42% in 28 d, not readily biodegradable).


 


In Annex XI, Section 3, it is laid down that testing in accordance with Annex IX and Annex X may be omitted, based on the exposure scenario(s) developed in the Chemical Safety Report (“Substance-Tailored Exposure-Driven Testing”).


In the risk assessment it is demonstrated that the manufacture and all uses of the life cycle of the substance do not pose a risk for environmental compartments. In the chemical safety report operational conditions (OC) and risk mitigating measures (RMM) define how direct or indirect exposure into the environment is prevented and it is demonstrated that the risk characterization ratios (RCRs) of the chemical safety assessment are below 1 for all compartments (see Chemical Safety Report Ch. 10).


Also, the reactivity of the substance supports the absence of exposure. Once formulated, PACM is mixed with a resin and applied. The substance is reacting with the resin and within a few hours there is no release possible even if the mixture is released to the environment because final cured resin is an inert material.


The absence of significant exposure and risk for the environment is demonstrated and therefore, it is judged that further testing on ultimate degradation in surface water is not necessary in accordance with Annex XI Section 3 and Annex IX 9.2, column 2.


 


According to REACH Annex IX, 9.2.1.4, column 1, a test on biodegradation in sediment is only required for substances with a high potential for adsorption to sediment. Since the test substance has a calculated log Koc of 2.65 and a low octanol/water partition coefficient (log Kow 2.03), it is expected to have a low potential for adsorption and, therefore, no biodegradation test in sediment is required.


Moreover, in accordance with Annex XI Section 3 and Annex IX 9.2.1.4, column 2, it is demonstrated in the risk assessment that the manufacture and all uses of the lifecycle of the substance do not pose an unacceptable risk for environmental compartments. In the chemical safety report operational conditions (OC) and risk mitigating measures (RMM) define how direct or indirect exposure into the environment is prevented and it is demonstrated that the risk characterization ratios (RCRs) of the chemical safety assessment are below 1 for all compartments (see Chemical Safety Report Ch. 10).


No further experimental simulation testing in water has been performed although the substance is not readily biodegradable. For the persistence assessment, the substance itself is assessed to be P/vP from a precautionary point of view. Potentially forming degradation products have been predicted using a valid QSAR model (CATALOGIC v.5.14.1.5 BOD 28 days MITI (OECD 301C) v.11.16). The substance is within the applicability domain of the model. The model predicted 77 degradation products, of which 15 can be regarded as relevant based on their predicted quantity (see the corresponded endpoint study record). These relevant degradation products were evaluated with regard to their biodegradability and bioaccumulation potential based on QSAR data. Nine substances were readily biodegradable. Significant accumulation is not to be expected for all relevant biodegradation products. Thus, they are neither PBT, nor vPvB.