Registration Dossier
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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 272-727-3 | CAS number: 68909-99-9
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Significant accumulation in organisms is not to be expected.
Key value for chemical safety assessment
Additional information
In accordance with column 2 of REACH Annex IX, the study does not need to be conducted sincethe measured log Kow of N3/N4 amine mix is -1.44 (pH 12.23°C; see IUCLID Chapter 4.7). Thus the bioaccumulation potential of N3/N4 -amine mix is expected to be low.
However, in order to assess the bioaccumulation potential of N3/N4-amine, BCF values were estimated for the four major constituents of the mixture using several (Q)SAR models. The table below lists the applied (Q)SAR models, the estimated BCF values and basic information on the applicability domain (AD). Detailed information on the model’s results and the AD are given in the endpoint study records of IUCLID Chapter 5.3.1. The selected models comply with the OECD principles for (Q)SAR models.
Summary of relevant information on aquatic bioaccumulation for the major constituents of N3/N4-amine: Predicted BCF values for applied QSAR models sorted by BCF: (AD = Applicability Domain)
Component |
Model |
BCF |
In AD |
Restraints |
CAS# 13531-52-7 |
||||
T.E.S.T. v4.1 |
0.83 |
yes |
- |
|
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation |
0.90 |
no |
The substance appreciably ionizes at physiological relevant pH. |
|
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation of zero |
0.90 |
no |
The substance appreciably ionizes at physiological relevant pH. |
|
CAESAR v2.1.14 (VEGA) |
1 |
yes |
- |
|
KNN/Read Across v1.1.0 (VEGA) |
1.3 |
yes |
- |
|
BCF baseline model v02.09 (OASIS Catalogic v5.11.17): incl. mitigating factors |
2.3 |
yes |
- |
|
Meylan v1.0.3 (VEGA) |
3 |
no |
- The reliability of logP is not adequate - logP is outside the defined range |
|
BCFBAF v3.01 (EPI Suite v4.11): Meylan et al. 1997/1999 |
3.2 |
yes |
- |
|
BCF baseline model v02.09 (OASIS Catalogic v5.11.17): not considering mitigating factors |
26.8 |
yes |
- |
|
CAS# 10563-26-5 |
||||
T.E.S.T. v4.1 |
0.4 |
yes |
- |
|
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation |
0.90 |
no |
The substance appreciably ionizes at physiological relevant pH. |
|
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation of zero |
0.90 |
no |
The substance appreciably ionizes at physiological relevant pH. |
|
CAESAR v2.1.14 (VEGA) |
1 |
no |
- Only moderately similar compounds have been found |
|
KNN/Read Across v1.1.0 (VEGA) |
2.2 |
no |
- The accuracy of prediction for similar molecules is not optimal - some similar molecules have experimental values that disagree with the predicted value - the maximum error in prediction of similar molecules a high value, considering the experimental variability |
|
BCF baseline model v02.09 (OASIS Catalogic v5.11.17): incl. mitigating factors |
2.3 |
yes |
- |
|
Meylan v1.0.3 (VEGA) |
3 |
no |
-only moderately similar compounds have been found - the maximum error in prediction of similar molecules has a moderate value, considering experimental variability - reliability of logP value is not adequate - logP is outside the defined range |
|
BCFBAF v3.01 (EPI Suite v4.11): Meylan et al. 1997/1999 |
3.2 |
Yes |
- |
|
BCF baseline model v02.09 (OASIS Catalogic v5.11.17): not considering mitigating factors |
9.23 |
yes |
- |
|
CAS# 58214-71-4 |
||||
T.E.S.T. v4.1 |
0.21 |
yes |
the confidence in the predicted results is low |
|
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation |
0.89 |
no |
The substance appreciably ionizes at physiological relevant pH. |
|
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation of zero |
0.89 |
no |
The substance appreciably ionizes at physiological relevant pH. |
|
CAESAR v2.1.14 (VEGA) |
1 |
no |
no similar compounds with known experimental value in the training set have been found |
|
BCF baseline model v02.09 (OASIS Catalogic v5.11.17): incl. mitigating factors |
2.3 |
yes |
- |
|
Meylan v1.0.3 (VEGA) |
3 |
no |
- no similar compounds with known experimental value in the training set have been found - the maximum error in prediction of similar molecules has a moderate value, considering the experimental variability - reliability of logP value is not optimal - LogP of this compound is outside the defined range |
|
BCFBAF v3.01 (EPI Suite v4.11): Meylan et al. 1997/1999 |
3.2 |
yes |
- |
|
KNN/Read Across v1.1.0 (VEGA) |
4.4 |
no |
- only moderately similar compounds have been found - accuracy of prediction for similar molecules is not optimal - some similar have experimental values that disagree with the predicted value - the maximum error in prediction of similar molecules has a high value, considering the experimental variability |
|
BCF baseline model v02.09 (OASIS Catalogic v5.11.17): not considering mitigating factors |
9.2 |
yes |
- |
|
CAS#107-15-3 |
||||
T.E.S.T. v4.1 |
0.64 |
yes |
- |
|
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation |
0.89 |
no |
The substance appreciably ionizes at physiological relevant pH. |
|
BCFBAF v3.01 (EPI Suite v4.11): Arnot-Gobas BCF, upper trophic, incl. biotransformation of zero |
0.89 |
no |
The substance appreciably ionizes at physiological relevant pH. |
|
KNN/Read Across v1.1.0 (VEGA) |
1.4 |
yes |
- |
|
CAESAR v2.1.14 (VEGA) |
2 |
no |
- only moderately similar compounds with known experimental have been found - 1 descriptor for this compound has values outside the descriptor range |
|
BCF baseline model v02.09 (OASIS Catalogic v5.11.17): incl. mitigating factors |
2.4 |
yes |
- |
|
Meylan v1.0.3 (VEGA) |
3 |
no |
- only moderately similar compounds with known experimental have been found - Molecular Weight of this compound is outside the defined range |
|
BCFBAF v3.01 (EPI Suite v4.11): Meylan et al. 1997/1999 |
3.2 |
no |
- The molecular weight of the substance is outside the range of the model's training set |
|
BCF baseline model v02.09 (OASIS Catalogic v5.11.17): not considering mitigating factors |
9.2 |
yes |
- |
Considering all estimation models applied the estimated BCF values of the four major components range from 0.21 to 26.8 L/kg. Therefore it can be concluded that significant accumulation in organisms is not to be expected for any of the major constituents of N3/N4 amine.
In addition, experimental data are available for the structurally similar substance trientine (CAS 112-24-3). The BCF was determined to be < 5 in a study following OECD 305C using Cyprinus carpio as test species (NITE, 1982).
Conclusion:
Based on the measured log Kow for N3/N4 amine (log Kow = -1.44; at pH 12 and 23°C; see IUCLID Chapter 4.7) and supported by a weight-of-evidence approach from experimental and calculated data, it can be concluded that significant accumulation in organisms is not to be expected.
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. Furthermore according to Article 25 of the same Regulation testing on vertebrate animals shall be undertaken only as a last resort.
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 the mixture N3/N4 -amine (CAS# 68909 -99 -9)(Q)SAR results were used for aquatic bioaccumulation. 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, and for reasons of animal welfare, further experimental studies on aquatic bioaccumulation are not provided.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.