Registration Dossier
Registration Dossier
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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
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EC number: - | CAS number: -
- 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
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Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: No information available whether the calculation model is validated for the substance under investigation.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- A guideline for the estimation of bioconcentration does not exist. However, estimation was carried out in compliance with the procedure described in the TGD on Risk Assessment, for the estimation of bioconcentration in freshwater fish. The BCF(fish) was estimated based on the distribution coefficient log Dow. (Log Pow calculations are only appropriate for neutral molecules. Log Dow is a more applicable endpoint for risk assessment. Log Dow is pH dependent and is applicable to protonated and unprotonated species.)
- GLP compliance:
- no
- Details on sampling:
- Not applicable (theoretical estimation)
- Details on preparation of test solutions, spiked fish food or sediment:
- Not applicable (theoretical estimation)
- Test organisms (species):
- other: Not applicable (theoretical estimation)
- Details on test organisms:
- Not applicable (theoretical estimation)
- Route of exposure:
- other: Not applicable (theoretical estimation)
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Result based on calculated log D of 2.599
- log BCF(fish) = 0.85 x log Dow - 0.7 - Type:
- BCF
- Value:
- 32.3 L/kg
- Remarks on result:
- other: based on log D = 2.599
- Conclusions:
- Based on the log D of 2.599, the predicted BCF of Amines, N-C10-C16-alkyltrimethylenedi-, reaction products with chloroacetic acid, in freshwater fish was estimated being BCF(fish) = 32.30 L/kg wwt.
- Executive summary:
The bioconcentration factor of Amines, N-C10-C16-alkyltrimethylenedi-, reaction products with chloroacetic acid, in freshwater fish was estimated based on log D, according to the a equation cited in the Endpoint Specific Guidance Document, Chapter R.7c (ECHA 2017).
Based on the log D of 2.599, the predicted BCF in freshwater fish was estimated being BCF(fish) = 32.30 L/kg wwt.
The bioaccumulation potential of Amines, N-C10-C16-alkyltrimethylenedi-, reaction products with chloroacetic acid, is considered to be low.
Reference
Description of key information
Not bioaccumulative, no testing required (log D of individual constituents between -3.742 and 2.599)
Key value for chemical safety assessment
- BCF (aquatic species):
- 32.3 L/kg ww
Additional information
No bioconcentration studies are available for Amines, N-C10-C16-alkyltrimethylenedi-, reaction products with chloroacetic acid, however, estimates of bioconcentration, based on the procedures described in the Guidance on information requirements and chemical safety assessment, are available for the aquatic environment. These estimates rely on physical chemical properties of the test substance, specifically the log Kow (3.81) based on the weighted mean of the overall log Kow. The BCF in freshwater fish was estimated to be 345.54 L/kg wwt, which would not qualify the substance as being bioaccumulative.
However, BCF estimations for Amines, N-C10-C16-alkyltrimethylenedi-, reaction products with chloroacetic acid based on the log Kow are not considered to be reliable due to the physicochemical properties of the substance.
In the case of the individual constituents of the test substance, such experimental and computational determination of BCF utilising the partition coefficient is considered not to be feasible. Amines, N-C10-C16-alkyltrimethylenedi-, reaction products with chloroacetic acid is a complex mixture of long chain aliphatic alkyl aminoacetic acids (mono- and dicarboxylate) and azaalkanes with a total active matter content of 20% (w/w) in aqueous solution. In addition, some of the molecules may exist as hydrochlorides. Such substance characteristics do not fit with the experimental and computational determination of BCF, this is primarily related to the (i) surface active properties of the products, and (ii) the ionic nature of the approx. 20 constituents, comprised of difunctional amine structures with caboxylation grades ranging from 0 – 2.
The ‘Guidance on Information requirements and chemical safety assessment, chapter R.7a: Endpoint specific guidance, Nov 2012’ – Guidance on Regulatory compliant Kow determination for ionisable substances and salts, indicates that ‘substances which dissociate within environmentally relevant pH range (pKa 5 -9), values for Kow shall be derived from the neutral form, and preferably also for the dissociated form. In some cases a factor of 4 - 5 has been recorded between the log Kow of both species. The value for the dissociated molecule determined around a pH of 7 (sometimes referred to as Dow) is considered more realistic for PBT and chemical safety assessment’.
The ionic nature of the constituents of mines, N-C10-C16-alkyltrimethylenedi-, reaction products with chloroacetic acid implies that the charge of each individual molecule will be strongly pH dependent. Therefore, for ionisable substances such as mines, N-C10-C16-alkyltrimethylenedi-, reaction products with chloroacetic acid, a log D (distribution coefficient) instead of a log Kow, should be derived. The distribution coefficient is the ratio of the sum of the concentrations of all forms of the compound (ionized plus un-ionized) in each of the two phases. For measurements of distribution coefficient, the pH of the aqueous phase is buffered to a specific value such that the pH is not significantly perturbed by the introduction of the compound. The logarithm of the ratio of the sum of concentrations of the solute's various forms in one solvent, to the sum of the concentrations of its forms in the other solvent is called log D:
Log D (octanol/water) = log ( [solute, octanol] / ([solute, ionized, water] + [solute, neutral, water]))
Log D values were calculated which take into account all (including ionisable) dissociation species of a molecule. Overall, at neutral pH (pH 7) the Log D values for the individual constituents of mines, N-C10-C16-alkyltrimethylenedi-, reaction products with chloroacetic acid ranged between -3.742 and 2.599. The BCF was calculated to be 32.30 L/kg wwt using the equation log BCF(fish) = 0.85 x log D - 0.7.
Conclusion
Amines, N-C10-C16-alkyltrimethylenedi-, reaction products with chloroacetic acid is highly water-soluble and has been demonstrated to be readily biodegradable. Due to the physicochemical properties of mines, N-C10-C16-alkyltrimethylenedi-, reaction products with chloroacetic acid molecules the BCF estimations based on the log Kow are not considered to be reliable. According to the Guidance on information requirements and chemical safety assessment, chapter R.7a, log D values are considered more realistic for an assessment of bioaccumulation. Log D values for the individual constituents of mines, N-C10-C16-alkyltrimethylenedi-, reaction products with chloroacetic acid ranged between -3.742 and 2.599. The predicted BCF in freshwater fish based on a log D of 2.599 was estimated to be 32.30 L/kg wwt indicating that the substance is not bioaccumulative.
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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