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EC number: 229-962-1 | CAS number: 6864-37-5
- 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
![](https://poisoncentres.echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_classification-and-labelling-and-pbt-assessment.png)
PBT assessment
Administrative data
PBT assessment: overall result
- PBT status:
- the substance is not PBT / vPvB
- Justification:
Parent compound:
An evaluation of the inherent properties of 2,2’-dimethyl-4,4’-methylenebis(cyclohexylamine) (DMDC; CAS no. 6864-37-5) is performed against Annex XIII criteria. If insufficient data were available, the screening criteria as laid down in ECHA Guidance on information requirements and chemical safety assessment R.11: PBT Assessment (v3.0, 2017) were applied.
The available evidence on degradation is not sufficient for an assessment based on the Annex XIII criteria for persistence (P and vP). As the substance is concluded to be not readily biodegradable as well as to be hydrolytically stable, it should be considered potentially P/vP from a precautionary point of view until further data become available.
A measured log Kow of 2.3 and results from a bioaccumulation study according to OECD TG 305 C (BCF < 60 L/kg) indicate that the substance is neither B nor vB.
Regarding aquatic toxicity the substance is not T since the lowest available chronic value is > 0.01 mg/L (the lowest chronic value is >1 mg/L for fish). Furthermore, results of the available short-term studies for fish, Daphnia and algae indicate that the L(E)C50 values are greater than the screening criterion of 0.1 mg/L (the lowest acute value is 4.6 mg/L for Daphnia). However, the substance is self-classified as STOT-RE. Identified target organs are skeletal muscle, kidney, heart and liver. Hence, the substance fulfills the T-criterion.
Based on available data, no final conclusion can be drawn on the P/vP properties. The substance fulfills the T-criterion, but since it is not B/vB it can be regarded as not PBT and not vPvB.
PBT / vPvB - Assessment for modelled metabolites of DMDC (CAS 6864 -37 -5):
ECHA Guidance on information requirements and chemical safety assessment (v3.0, June 2017), Chapter R.11.4.1 specifies that “Constituents, impurities and additives should normally be considered relevant for the PBT/vPvB assessment when they are present in concentration of ≥ 0.1% (w/w)” […] “Similar arguments apply to relevant transformation/degradation products”.
In order to identify the relevant degradation products of DMDC as a standard information requirement according to Column 1, Section 9.2.3. of Annex IX to REACH and for purposes of an assessment of potential PBT/vPvB properties, the metabolites were modelled using CATALOGIC 301C v11.15 – July 2018 (OASIS CATALOGIC v5.13.1.156).
Overall, the model calculated 128 metabolites (Table 1) identifying 37 metabolites as relevant degradation products in terms of PBT/vPvB assessment, with an estimated quantity of ≥0.1% (equivalent to quantity setting in OASIS CATALOGIC: ≥ 0.001 [mol/mol parent]).
Table 1: QSAR prediction for CAS-#6864 -37 -5 (DMDC) 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 v5.13.156))
#
Metab.
NoSmiles
Name
Quantity
(mol/mol parent)Log Kow
BOD pred. (% after 28 d)
PBT-Assessment:
ECHA (disseminated substances)Parent
1
CC1CC(CC2CCC(N)C(C)C2)CCC1N
4,4'-Methylenebis(2-methylcyclohexanamine) (CAS 6864-37-5)
1.24E-01
2.30
39
not PBT/vPvB
1
2
CC1CC(CC2CCC(=O)C(C)C2)CCC1N
not identified
7.95E-06
3.60
56
not checked
2
3
CC1CC(CC2(O)CCC(=O)C(C)C2)CCC1N
not identified
7.95E-06
2.09
55
not checked
3
4
CC1CC(CC2(O)CCC(=O)OC(C)C2)CCC1N
not identified
8.82E-02
1.64
54
not identified
4
5
CC1CC(CC(O)(CCC(O)=O)CC(C)O)CCC1N
not identified
7.07E-06
-1.24
58
not checked
5
6
CC1CC(CC(O)(CC(C)O)C=CC(O)=O)CCC1N
not identified
7.07E-06
0.04
58
not checked
6
7
CC1CC(CC(O)(CC(C)O)C(O)CC(O)=O)CCC1N
not identified
7.07E-06
-2.78
57
not checked
7
8
CC1CC(CC(O)(CC(C)O)C(=O)CC(O)=O)CCC1N
not identified
7.07E-06
-2.37
57
not checked
8
9
CC1CC(CC(O)(CC(C)O)C(O)=O)CCC1N
not identified
2.17E-01
-1.91
50
not identified
9
10
CC1CC(CC(O)(CC(C)=O)C(O)=O)CCC1N
not identified
4.90E-06
-2.83
58
not checked
10
11
CC1CC(CC(O)(COC(C)=O)C(O)=O)CCC1N
not identified
5.44E-02
-2.22
56
not identified
11
12
CC1CC(CC(O)(CO)C(O)=O)CCC1N
not identified
4.35E-06
-1.62
52
not checked
12
13
CC1CC(CC(O)(C=O)C(O)=O)CCC1N
not identified
4.35E-06
-3.25
52
not checked
13
14
CC1CC(CC(O)(C(O)=O)C(O)=O)CCC1N
not identified
4.48E-02
-3.59
50
not identified
14
15
CC1CC(CC(=O)C(O)=O)CCC1N
not identified
3.91E-06
0.39
58
not checked
15
16
CC1CC(CC(O)=O)CCC1N
not identified
3.91E-06
-1.48
56
not checked
16
17
CC1CC(O)(CC(O)=O)CCC1N
not identified
1.25E-01
-2.98
54
not identified
17
18
CC1CC(=O)CCC1N
not identified
9.95E-02
0.00
49
not identified
18
19
CC1CC(=O)CCC1=O
not identified
1.66E-06
-0.51
77
not checked
19
20
CC1CC(=O)CCC(=O)O1
not identified
1.84E-02
0.85
76
not identified
20
21
CC=CC(=O)CCC(O)=O
not identified
1.47E-06
0.57
85
not checked
21
22
OC(=O)CCC(O)=O
Succinic acid (CAS 110-15-8)
1.52E-02
-0.75
90
not PBT/vPvB
22
23
CCC(O)=O
Propionic acid (CAS 79-09-4)
1.35E-06
0.58
100
not checked
23
26
CC=C
Propene (CAS 115-07-1)
1.47E-06
1.68
80
not checked
24
27
CC1CO1
Methyloxirane (CAS 75-56-9)
1.47E-06
0.37
77
not checked
25
28
CC(O)CO
1,2-Propanediol (CAS 57-55-6)
1.47E-06
-0.78
73
not checked
26
29
CC(O)C=O
not identified
1.47E-06
-1.21
73
not checked
27
30
CC(O)C(O)=O
D-lactic acid (CAS 10326-41-7)
4.73E-02
-0.65
68
not PBT/vPvB
28
31
CC=O
Acetaldehyd (CAS 75-07-0)
1.00E-06
-0.17
100
not checked
29
32
CC(O)=O
Acetic acid (CAS 64-19-7)
1.61E-05
0.09
100
not checked
30
34
CC1CC(CC2CCC(N)C(CO)C2)CCC1N
not identified
4.70E-07
2.64
48
not checked
31
35
CC1CC(CC2CCC(N)C(C=O)C2)CCC1N
not identified
4.70E-07
2.61
48
not checked
32
36
CC1CC(CC2CCC(N)C(C(O)=O)C2)CCC1N
not identified
6.61E-03
-0.34
46
not identified
33
37
CC1CC(CC2CCC(N)C(C(O)=O)C2)CCC1=O
not identified
2.02E-07
-0.84
57
not checked
34
38
CC1CC(O)(CC2CCC(N)C(C(O)=O)C2)CCC1=O
not identified
2.02E-07
-2.34
56
not checked
35
39
CC1CC(O)(CC2CCC(N)C(C(O)=O)C2)CCC(=O)O1
not identified
2.24E-03
-2.79
55
not identified
36
40
CC(O)CC(O)(CCC(O)=O)CC1CCC(N)C(C(O)=O)C1
not identified
1.79E-07
-3.06
62
not checked
37
41
CC(O)CC(O)(CC1CCC(N)C(C(O)=O)C1)C=CC(O)=O
not identified
1.79E-07
-3.28
62
not checked
38
42
CC(O)CC(O)(CC1CCC(N)C(C(O)=O)C1)C(O)CC(O)=O
not identified
1.79E-07
-4.60
61
not checked
39
43
CC(O)CC(O)(CC1CCC(N)C(C(O)=O)C1)C(=O)CC(O)=O
not identified
1.79E-07
-4.20
61
not checked
40
44
CC(O)CC(O)(CC1CCC(N)C(C(O)=O)C1)C(O)=O
not identified
5.51E-03
-3.74
55
not identified
41
45
CC(=O)CC(O)(CC1CCC(N)C(C(O)=O)C1)C(O)=O
not identified
1.24E-07
-4.65
60
not checked
42
46
CC(=O)OCC(O)(CC1CCC(N)C(C(O)=O)C1)C(O)=O
not identified
1.38E-03
-4.04
59
not identified
43
47
NC1CCC(CC(O)(CO)C(O)=O)CC1C(O)=O
not identified
1.11E-07
-3.44
57
not checked
44
48
NC1CCC(CC(O)(C=O)C(O)=O)CC1C(O)=O
not identified
1.11E-07
-5.08
57
not checked
45
49
NC1CCC(CC(O)(C(O)=O)C(O)=O)CC1C(O)=O
not identified
1.14E-03
-4.82
55
not identified
46
50
NC1CCC(CC(=O)C(O)=O)CC1C(O)=O
not identified
9.91E-08
-4.63
65
not checked
47
51
NC1CCC(CC(O)=O)CC1C(O)=O
not identified
9.91E-08
-3.30
64
not checked
48
52
NC1CCC(O)(CC(O)=O)CC1C(O)=O
not identified
3.18E-03
-4.81
62
not identified
49
53
NC1CCC(=O)CC1C(O)=O
not identified
2.53E-03
-4.44
45
not identified
50
54
OC(=O)C1CC(=O)CCC1=O
not identified
4.21E-13
-1.74
74
not checked
51
55
OC(=O)C1CC(=O)OCCC1=O
not identified
2.10E-03
-0.39
67
not identified
52
56
OC(=O)C1COC(=O)CCC1=O
not identified
2.10E-03
-0.39
78
not identified
53
57
CC1CC(CC2CCC(=O)C(C(O)=O)C2)CCC1N
not identified
2.64E-03
-0.84
62
not identified
54
58
CC1CC(CC(CCC(O)=O)CCC(O)=O)CCC1N
not identified
1.75E-12
-0.43
74
not checked
55
59
CC1CC(CC(CCC(O)=O)C=CC(O)=O)CCC1N
not identified
1.75E-07
-0.65
74
not checked
56
60
CC1CC(CC(CCC(O)=O)C(O)CC(O)=O)CCC1N
not identified
1.75E-07
-1.97
73
not checked
57
61
CC1CC(CC(CCC(O)=O)C(=O)CC(O)=O)CCC1N
not identified
1.75E-07
-2.48
73
not checked
58
62
CC1CC(CC(CCC(O)=O)C(O)=O)CCC1N
not identified
1.75E-07
-1.41
69
not checked
59
63
CC1CC(CC(C=CC(O)=O)C(O)=O)CCC1N
not identified
1.75E-07
-1.63
69
not checked
60
64
CC1CC(CC(C(O)CC(O)=O)C(O)=O)CCC1N
not identified
1.75E-07
-2.95
68
not checked
61
65
CC1CC(CC(C(=O)CC(O)=O)C(O)=O)CCC1N
not identified
1.75E-07
-3.46
68
not checked
62
66
CC1CC(CC(C(O)=O)C(O)=O)CCC1N
not identified
3.00E-04
-2.39
62
not checked
63
67
CC1CC(CCC(O)=O)CCC1N
not identified
1.72E-07
-0.99
59
not checked
64
68
CC1CC(C=CC(O)=O)CCC1N
not identified
1.72E-07
0.30
59
not checked
65
69
CC1CC(C(O)CC(O)=O)CCC1N
not identified
1.72E-07
-2.53
57
not checked
66
70
CC1CC(C(=O)CC(O)=O)CCC1N
not identified
1.72E-07
-3.04
57
not checked
67
71
CC1CC(C(O)=O)CCC1N
not identified
6.47E-03
-1.97
46
not identified
68
72
CC1CC(C(O)=O)CCC1=O
not identified
1.08E-07
0.72
77
not checked
69
73
CC1CC(O)(C(O)=O)CCC1=O
not identified
1.08E-07
-0.47
76
not checked
70
74
CC1CC(O)(C(O)=O)CCC(=O)O1
not identified
1.20E-03
-0.92
74
not identified
71
75
CC(O)CC(O)(CCC(O)=O)C(O)=O
not identified
9.57E-08
-1.19
96
not checked
72
76
CC(O)CC(O)(C=CC(O)=O)C(O)=O
not identified
9.57E-08
-1.40
96
not checked
73
77
CC(O)CC(O)(C(O)CC(O)=O)C(O)=O
not identified
9.57E-08
-1.53
95
not checked
74
78
CC(O)CC(O)(C(=O)CC(O)=O)C(O)=O
not identified
9.57E-08
-2.32
95
not checked
75
79
CC(O)CC(O)(C(O)=O)C(O)=O
not identified
2.94E-03
-2.17
93
not identified
76
80
CC(=O)CC(O)(C(O)=O)C(O)=O
not identified
6.63E-03
-3.09
91
not identified
77
82
CC1CC(CC2CC(C)C(N)CC(=O)O2)CCC1N
not identified
6.36E-04
1.60
42
not checked
78
83
CC1CC(CC(O)CC(C)C(N)CC(O)=O)CCC1N
not identified
7.17E-04
-1.69
39
not checked
79
84
CC1CC(CC(O)CC(C)C(N)CC(O)=O)CCC1=O
not identified
2.19E-08
-2.19
56
not checked
80
85
CC(CC(O)CC1(O)CCC(=O)C(C)C1)C(N)CC(O)=O
not identified
2.19E-08
-3.29
55
not checked
81
86
CC(CC(O)CC1(O)CCC(=O)OC(C)C1)C(N)CC(O)=O
not identified
2.43E-04
-3.74
53
not checked
82
87
CC(CC(O)CC(O)(CCC(O)=O)CC(C)O)C(N)CC(O)=O
not identified
1.95E-03
-4.42
59
not identified
83
88
CC1CC(CC(O)CC(C)C(=O)CC(O)=O)CCC1N
not identified
2.19E-08
-2.19
48
not checked
84
89
CC1CC(CC(O)CC(C)C(O)=O)CCC1N
not identified
2.86E-04
-1.13
40
not checked
85
90
CC1CC(CC(O)C=C(C)C(O)=O)CCC1N
not identified
1.90E-03
0.29
44
not identified
86
91
CC1CC(CC2CCC(N)C(C)C(=O)O2)CCC1N
not identified
6.36E-04
1.60
33
not checked
87
92
CC1CC(CC(O)CCC(N)C(C)C(O)=O)CCC1N
not identified
6.66E-04
-1.69
34
not checked
88
93
CC1CC(CC(O)CCC(N)=C(C)C(O)=O)CCC1N
not identified
1.42E-03
-0.14
31
not identified
89
94
CC=C(N)CCC(O)CC1CCC(N)C(C)C1
not identified
1.13E-03
2.25
30
not identified
90
95
CC=C(N)CCC(O)CC1CCC(=O)C(C)C1
not identified
1.88E-03
1.74
46
not identified
91
96
CC1CC(CC2CCC(N)C(C)OC2=O)CCC1N
not identified
6.36E-04
1.60
29
not checked
92
97
CC1CC(CC(CCC(N)C(C)O)C(O)=O)CCC1N
not identified
1.56E-03
-1.69
30
not identified
93
98
CC1CC(CC(CCC(N)C(C)=O)C(O)=O)CCC1N
not identified
1.13E-03
-1.44
33
not identified
94
99
CC1CC(CCCCC(N)C(C)=O)CCC1N
not identified
3.38E-04
2.58
36
not checked
95
100
CC1CC(CCCCC(N)C(C)=O)CCC1=O
not identified
1.03E-03
2.08
51
not identified
96
101
CC1CC(CCCCC(=O)C(C)=O)CCC1N
not identified
1.03E-03
1.77
52
not identified
97
102
CC1CC(CC2CC(C)C(N)COC2=O)CCC1N
not identified
6.36E-04
1.60
35
not checked
98
103
CC1CC(CC(CC(C)C(N)CO)C(O)=O)CCC1N
not identified
1.63E-03
-1.69
38
not identified
99
104
CC(CCCC1CCC(N)C(C)C1)C(N)CO
not identified
4.87E-04
2.33
37
not checked
100
105
CC(CCCC1CCC(N)C(C)C1)C(=O)CO
not identified
1.49E-03
2.74
44
not identified
101
106
CC(CCCC1CCC(=O)C(C)C1)C(N)CO
not identified
1.49E-03
1.83
56
not identified
102
107
CC1CC(CC2CC(C)C(N)C(=O)OC2)CCC1N
not identified
8.07E-04
1.60
34
not checked
103
108
CC1CC(CC2CC(C)C(N)C(=O)OC2)CCC1=O
not identified
2.46E-08
1.10
50
not checked
104
109
CC1CC(CC2(O)CCC(=O)C(C)C2)COC(=O)C1N
not identified
2.46E-08
-0.41
48
not checked
105
110
CC1CC(CC2(O)CCC(=O)OC(C)C2)COC(=O)C1N
not identified
2.73E-04
-0.86
47
not checked
106
111
CC1CC(CC(O)(CCC(O)=O)CC(C)O)COC(=O)C1N
not identified
2.19E-08
-3.74
54
not checked
107
112
CC1CC(CC(O)(CC(C)O)C=CC(O)=O)COC(=O)C1N
not identified
2.19E-08
-2.46
54
not checked
108
113
CC1CC(CC(O)(CC(C)O)C(O)CC(O)=O)COC(=O)C1N
not identified
2.19E-08
-5.28
53
not checked
109
114
CC1CC(CC(O)(CC(C)O)C(=O)CC(O)=O)COC(=O)C1N
not identified
2.19E-08
-4.87
53
not checked
110
115
CC1CC(CC(O)(CC(C)O)C(O)=O)COC(=O)C1N
not identified
6.72E-04
-4.41
45
not checked
111
116
CC1CC(CC(O)(CC(C)=O)C(O)=O)COC(=O)C1N
not identified
1.52E-03
-5.33
55
not identified
112
117
CC1CC(CC2CC(C)C(=O)C(=O)OC2)CCC1N
not identified
2.73E-04
3.13
42
not checked
113
118
CC1CC(CC(CC(C)C(=O)C(O)=O)CO)CCC1N
not identified
2.19E-08
1.23
42
not checked
114
119
CC1CC(CC(CC(C)C(=O)C(O)=O)C=O)CCC1N
not identified
2.19E-08
1.21
42
not checked
115
120
CC1CC(CC(CC(C)C(=O)C(O)=O)C(O)=O)CCC1N
not identified
2.25E-04
-2.32
40
not checked
116
121
CC(CCCC1CCC(N)C(C)C1)C(=O)C(O)=O
not identified
9.82E-04
2.28
43
not checked
117
122
CC1CC(CC(CC(C)C=O)C(O)=O)CCC1N
not identified
9.82E-04
-0.66
55
not checked
118
123
CC1CC(CC2CC(C)C(N)OC(=O)C2)CCC1N
not identified
6.36E-04
3.35
40
not checked
119
124
CC1CC(CC(CC(C)C(N)O)CC(O)=O)CCC1N
not identified
5.09E-08
-1.69
43
not checked
120
125
CC1CC(CC(CC(C)C=O)CC(O)=O)CCC1N
not identified
5.09E-08
-0.17
43
not checked
121
126
CC1CC(CC(CC(C)C(O)=O)CC(O)=O)CCC1N
not identified
5.09E-08
-0.50
41
not checked
122
127
CC1CC(CC(O)(CC(C)C(O)=O)CC(O)=O)CCC1N
not identified
6.66E-04
-2.01
39
not checked
123
128
CC1CC(CC(O)(CC(O)=O)C=C(C)C(O)=O)CCC1N
not identified
5.79E-04
-2.09
47
not checked
124
129
CC1CC(CC(O)(CC(O)=O)C(O)C(C)C(O)=O)CCC1N
not identified
5.03E-04
-3.14
44
not checked
125
130
CC1CC(CC(O)(CC(O)=O)C(O)=C(C)C(O)=O)CCC1N
not identified
3.35E-08
-2.57
55
not checked
126
131
CC1CC(CC(O)(CC(O)=O)C(=O)C(C)C(O)=O)CCC1N
not identified
4.38E-04
-3.14
55
not checked
127
132
CC1CC(CC(O)(CC(O)=O)C(O)=O)CCC1N
not identified
9.33E-04
-2.79
50
not checked
128
133
CC1CC(CC(=O)CC(O)=O)CCC1N
not identified
1.98E-03
-2.55
64
not identified
Persistence (“P/vP”):
In order to assess the biodegradation potential of the relevant degradation products, the (Q)SAR model CATALOGIC 301C v11.15 – July 2018 (OASIS CATALOGIC v5.13.1.156) was applied.
Concerning the applicability domain (OECD Principle 3) DMDC is completely in the parametric, the metabolic and the structural domain (100%). The model was used to predict potential metabolites.
- The model predicts a BOD value of 39% for DMDC, supporting the result of the experimental data that the substance is not readily biodegradable.
- 26 of the 37 metabolites identified as relevant degradation products were calculated to be not readily biodegradable (threshold value: <60% BOD). Individual biodegradation of these metabolites was estimated to be in a range of 30% to 59% after 28 days (based on BOD).
- Eleven of the relevant metabolites were estimated to be readily biodegradable (threshold value: ≥60%), with individually calculated biodegradation values between 62% and 93% after 28 days (based on BOD).
In conclusion, 70% of the predicted metabolites present in concentration of ≥0.1% (equivalent to quantity setting in OASIS CATALOGIC: 0.001 [mol/mol parent]) are estimated to be not readily biodegradable while 30% of the relevant metabolites are predicted to be readily biodegradable.
The degradation products of DMDC (CAS-# 6864 -37 -5) which are predicted to be not readily biodegradable should be considered as potentially P/vP from a precautionary point of view, until further data become available.
Bioaccumulation (“B/vB”):
Referring to uncharged molecules, the estimation model CATALOGIC 301C v11.15 – July 2018 (OASIS CATALOGIC v5.13.1.156) calculated for the parent compound DMDC (CAS-# 6864 -37 -5) a log Kow of 4.1, which exceeds the experimentally determined log Kow of 2.3. Both values do not fulfill the screening criterion for B/vB substances.
Without exception, all of the 128 modelled degradation products of DMDC were estimated to exhibit log Kow values of ≤4.5 (see Table 1), thereby not fulfilling the screening criteria for bioaccumulation (B/vB) as laid down in Section 3.1 of REACH Annex XIII.
Based on the estimation data available for the modelled metabolites, all (relevant) metabolites of DMDC are concluded to be “not B” and “not vB”.
Toxicity (“T”):
As the predicted degradation products do not fulfill both the P/vP and B/vB criteria, no information was collected on their toxicity properties.
Overall conclusion:
1. Sufficient test data are available to assess the PBT/vPvB properties of DMDC.
2. Potentially relevant degradation products were modeled using (Q)SARmodel CATALOGIC 301C v11.15 – July 2018 (OASIS CATALOGIC v5.13.1.156):
2a. Based on modeled data relevant degradation products present in concentration of ≥ 0.1% (equivalent to quantity setting in OASIS CATALOGIC: ≥0.001 [mol/mol parent]) do neither fulfill the PBT criteria (not PBT) nor the vPvB criteria (not vPvB).
2b. However, 26 predicted relevant metabolites present in concentration of ≥0.1% (equivalent to quantity setting in OASIS CATALOGIC: ≥0.001 [mol/mol parent]) should be considered as potentially P/vP from a precautionary point of view.- Likely routes of exposure:
Dermal, inhalation
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