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Diss Factsheets
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EC number: 305-318-6 | CAS number: 94441-92-6
- 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
Basic toxicokinetics
Administrative data
- Endpoint:
- basic toxicokinetics
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Assessment based on public literature. Full assessment included as part of read-across justifications for reproduction and long-term toxicity . Attached in Section 13.
Cross-reference
- Reason / purpose for cross-reference:
- reference to same study
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
- Objective of study:
- metabolism
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Examination of published metabilc pathways for amino acids and primary amines
- GLP compliance:
- no
Test material
- Reference substance name:
- Range of alklyamine alaninates
- IUPAC Name:
- Range of alklyamine alaninates
Constituent 1
Results and discussion
Any other information on results incl. tables
Review of chemistry and potential metabolic processes
The metabolism and degradation of branched and linear amines and (imino)propionates are well evaluated. However, no primary research has been found relating to the registered substance itself, and the proposed first stage of metabolic breakdown to the aliphatic amine and propionate is based on similar substance. A review of amino acids indicates that the iminopropionate will quicklymetabolise. This metabolism will release energy into cells and the nitrogen will play a part in protein synthesis or excreted as urea; this process is also referred to as ‘catabolism’, with removal of propanoate from the nitrogen, yielding ammonium ions that are then excreted as urea.
A review by CIR review suggests an alternative metabolic route for lauryldipropionate based on dealklyation of the fatty amine; although this is likely to be important for the amine metabolism, oxidative or catabolic processes on the carboxylates are likely to be faster.
Mechanisms for metabolic degradation of alkyl propionates in general can be explored by checking the rate and degree of biodegradation. In addition, it is necessary to confirm if there is any impact on rates of metabolism between linear and branched amines to confirm validity of read-across to linear amines. Biodegradation is a good indicator that metabolism will occur in eukaryotic cells under aerobic conditions.
Assessment based on ready-biodegradation
A ready biodegradation study on the substance attained 90% degradation over 20 days. This is based on CO2evolution compared to the theoretical oxygen demand and is within experimental error to indicate completemineralisation, with no possible organic residue. Other substances such as the coco-iminodipropionate tested and reported in the EPA review [Analogue substance 1] andEthyl N-acetyl-N-butyl-β-alaninate, as well as primary amines, all show a high level of biodegration
Assessment based on toxicity findings
Following repeated oral administration, adaptive changes were seen in the liver. Liver hypertrophy was reported in males and females at the mid- and high doses as well as renal histopathology in males [ref 1]. There was no direct evidence of liver toxicity, and the hypertrophy was considered an adaptive effect and non-adverse. Together with dose-related weight gain of the liver, this is a strong indicator of metabolic processes taking place.
Proposed mechanism for metabolic degradation
The metabolism needs to be reviewed in various stages to assess which intermediates may form. The most likely is catabolic action on the amino acid releasing propionate and primary amine. However, the carboxylate / carboxcylic acid will itself readily metabolise through oxidative processes, but either way, a first stage metabolite is considered to be the primary amine.
To assess this mechanism, the first step involves the amino acid based on iminodipropionic acid [ref metabolite 2]; this amino acid has been widely investigated and is important in metabolic processes and is itself a metabolite of more complex amino acids and proteins. There is little primary data on the further metabolism of iminodipropionic acid, but data has been found that it is readily biodegradable [ref 6]. General mechanisms for amino acids suggest catabolic degradation to propanoate (metabolite 3). Amino propionate is also found in nature as part of amino acid / protein metabolic pathways.
Propionates are metabolites of amino acids naturally found in foods and in the digestive system and are anessentialpart of metabolic processes involving Vitamin B12. The ultimate pathway is well established and is part of the glucaneogenesis process; research has been performed to demonstrate metabolism in liver [ref 8]. This research shows rapid update of propionate into liver hepatocytes withulitisationin sugar metabolism.
2-ethylhexylamine is itself readily biodegradable (up to 80% over 28 days), but no primary data has been found regarding routes of metabolism. References are made in an OECD SIDS review [ref 4] covering a range of branched and un-branched aliphatic alklyamines in the range of C1 – C13. These have been grouped together in having similar biological properties.
The SIDS report concludes that the aliphatic amines metabolise readily in animals by oxidation with formation of CO2as an ultimate metabolite. The fate of the nitrogen is not discussed, but amines and amino acids are essential in metabolic processes and building blocks.
The report also notes that the C10-C13 primary amines may be absorbed through the skin up to chain length of about six carbon.
The EPA review [ref 1] makes an alternative proposal for metabolic degradation with oxidation of the nitrogen and formation of iminodipropionic acid and primary alcohol. Although this process is likely to occur, it is considered to be a minor route in biological systems with enzyme enhanced catabolic activity on the nitrogen, resulting in propionic acid and primary amine.
Either route will ultimately lead to complete degradation with excretion (urea) or assimilation (proteins) of nitrogen and formation of carbon dioxide.
In conclusion, there is good evidence that the Registered substance, sodium N-(2-carboxyethyl)-N-(2-ethylhexyl)-β-alaninate, will be readily absorbed on ingestion and metabolised quickly to amino acids, amines and ultimately oxidised to carbon dioxide and nitrogen compounds.
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): no bioaccumulation potential based on study results
In conclusion, there is good evidence that the Registered substance, sodium N-(2-carboxyethyl)-N-(2-ethylhexyl)-β-alaninate, will be readily absorbed on ingestion and metabolised quickly to amino acids, amines and ultimately oxidised to carbon dioxide and nitrogen compounds. - Executive summary:
In conclusion, there is good evidence that the Registered substance, sodium N-(2-carboxyethyl)-N-(2-ethylhexyl)-β-alaninate, will be readily absorbed on ingestion and metabolised quickly to amino acids, amines and ultimately oxidised to carbon dioxide and nitrogen compounds.
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