Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Classification & Labelling & PBT assessment

PBT assessment

Currently viewing:

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.
No



Smiles



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