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EC number: 695-748-3 | CAS number: 65286-55-7
- 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://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_environmental-fate-and-pathways.png)
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Data waiving:
- other justification
- Justification for data waiving:
- other:
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- September 2022
- 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:
- 1. SOFTWARE
EPI Suite 4.1
2. MODEL (incl. version number)
BCFBAF v3.02
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
The sub-models in BCFBAF v3.02 require chemical structure as SMILES as input. The SMILES code of the substance is available in the attached QPRF. It also uses Log Kow as its main descriptor, which is generated with KOWWIN v1.69 if an experimental value is not available. For the modelled substance, the experimental Log Kow value was used.
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.
5. APPLICABILITY DOMAIN
The structure of the modelled compound was well represented in the BCFBAF v3.02 sub-models. The modelled compound was within the sub-model's molecular weight and Log Kow ranges.
6. ADEQUACY OF THE RESULT
The main purpose of this QSAR analysis was to assess the bioaccumulation potential of Bis-(N,N-dimethylaminoethoxyethyl)-methylamine (CAS 695-748-3). The predicted BCF value of 3.16 was very low, indicating a very low bioaccumulation potential with high reliability. Overall, the prediction can be considered appropriate for use within the bioaccumulation assessment. - Principles of method if other than guideline:
- Estimation of the bioconcentration factor in fish using BCFBAF v3.02.
BCFBAF v3.02 contains a number of sub-models through which the following endpoints can be
estimated:
Model 1 - Bioconcentration factor (BCF): calculates a generic BCF for fish based on a linear regression model
Model 2 - Biotransformation (kM): estimates the biotransformation rate of a substance in fish, represents the elimination of a compound in fish through biotransformation. This estimation is used for the calculation in Model 3.
Model 3 - Arnot-Gobas BAF-BCF: calculates BCF and BAF (bioaccumulation factor) in fish for three different trophic levels (low, mid and upper) using a food-web model that includes biotransformation in fish as an elimination pathway. Values without biotransformation are also provided for the upper trophic level.
For the purpose of this QSAR assessment, Model 1 was applied. - GLP compliance:
- no
- Specific details on test material used for the study:
- The QSAR analysis was performed on the substance Bis-(N,N-dimethylaminoethoxyethyl)-methylamine (CAS n. 65286-55-7)
- Details on test organisms:
- BCF calculations in BCFBAF v3.02 are made for fish. Depending on the model, fish of different trophic levels (low, mid and upper) are included.
- Type:
- BCF
- Value:
- 3.16 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: QSAR estimation
- Conclusions:
- The QSAR analysis of Bis-(N,N-dimethylaminoethoxyethyl)-methylamine (CAS n. 65286-55-7) indicated a very low potential for bioaccumulation.
Referenceopen allclose all
Description of key information
Based on an assessment of the aquatic bioaccumulation of ionisable substances, it is concluded that the substance does not meet the B (or vB) criteria for bioaccumulation and the substance is concluded to not be bioaccumulative. Estimated BCF values for the substance ranged from 0.37 to 4.3.
Key value for chemical safety assessment
Additional information
Analysis of existing experimental BCF and Log Pn data for ionisable organic chemicals (IOCs), demonstrates that Log Pn can be used in a similar way as for neutral compounds in screening assessments for bioaccumulation potential. As such, a Log Pn < 3 (and even < 4.5) can be considered a reliable indication that a substance will not meet the assessment criterion to consider a substance as B (i.e., its BCF value in fish can reliably be expected to be < 2000). Exceptions to this are chemicals for which Log Pn cannot be reliably determined, experimentally and/or through modelling (e.g., PFAS substances, ionic surfactants). Based on this, as well as the registered substance’s reliable, experimental Log Pn value of -0.00386, it can be concluded that it does not meet the B screening criterion. This is furthermore supported through the work by Nendza et al. (2018), in which the BCF waiving scheme concludes substances (ionic or not) to be nonB when they have a Log Pn below 3. In addition, through the use of available bioaccumulation models developed specifically for IOCs, estimated BCF values for the registered substance ranged from 0.37 to 4.3. All these values are several orders of magnitude below the regulatory B criterion of 2000.
Based on the analysis presented above, the registered substance can be concluded to be not bioaccumulative. Therefore, further bioaccumulation testing for the substance is considered to be scientifically not necessary.
Additionally, A QSAR analysis of the substance Bis-(N,N-dimethylaminoethoxyethyl)-methylamine was carried out resulting in a BCF value of 3.16 L/kg which further supports the low potential for bioaccumulation of the substance.
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.
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