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EC number: 612-396-8 | CAS number: 61791-19-3
- 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
Based on QSAR simulation in 2 QSAR models , the bioaccumulation potential is expected to be 28- 156 L/kg. Therefore, unacceptable risks due to possible bioaccumulation are not expected.
Key value for chemical safety assessment
- BCF (aquatic species):
- 156 L/kg ww
Additional information
Bioaccumulation of Fatty acids, tall-oil, reaction products with ethanolamine, ethoxylated (1.5EO)
No experimental data evaluating the bioaccumulation potential are available for the UVCB Fatty acids, tall-oil, reaction products with ethanolamine, ethoxylated (1.5EO). However, an experimental determined value of Log Pow > 5 at 20°C and calculated Log Pow values (Log Pow 5.4 - 5.9) for the main components of the test substance based on the experimentally derived water solubility of 30 mg/L indicate a potential for bioaccumulation. Estimations of the BCF were performed by means of QSAR models. The results are evaluated in a weight-of-evidence approach.
Structure
The main components of the test substance are reaction products of a linear fatty acid backbone - C18 or C18 unsat., ethanolamine and 1-2 ethylenoxide molecules.
Main components of the test item:
· Fatty acid C-Chain C18 sat.+1MEA +1EO (Log Pow: 5.9)
· Fatty acid C-Chain C18 unsat. +1MEA +1EO (Log Pow: 5.6)
· Fatty acid C-Chain C18 sat. +1MEA +2EO (Log Pow: 5.6)
· Fatty acid C-Chain C18 unsat. +1MEA +2EO (Log Pow: 5.4)
Intrinsic properties
Fatty acids, tall-oil, reaction products with ethanolamine, ethoxylated (1.5EO) are readily biodegradable. It can be expected that substances like the test item undergo a rapid and ultimate degradation in the environment and in sewage treatment plants. Therefore, after the passage of a sewage treatment plant only very low concentrations are likely to enter the environment.
Entering the environment a further decrease of the substance concentration in the water phase is to be assumed due to adsorption processes to organic matter (Log Koc > 3). Thus the actual dissolved fraction to organisms like fish via the water phase is further reduced.
Biotransformation and metabolism
Biotransformation plays a key role in the bioaccumulation of organic chemicals in aquatic organisms, (Katagi, 2010). Ethoxylated molecules have been shown to be easily degradated in organisms (fish) by biotransformation (Tolls et al., 2000) or metabolism to body inherent molecules. Amid and fatty acid structures are furthermore known to be body inherent molecules undergoing diverse metabolism steps (Farrell et. al.,2012).
QSAR modelling
BCF calculations using the CATALOGIC v.5.11.6 TB BCF base-line model for the main components of this UVCB are available The BCF model calculates the BCF implicating the estimated log Kow value of 5.4 - 5.9 and the measured water solubility of 30mg/L. Furthermore, the influence of mitigating factors like ionization of the molecule, water solubility, size and metabolism are also considered by the model. Taking into account these mitigating factors, e.g. the BCF is reduced from 20063 L/kg (log BCF = 4.30) to BCF 95 L/kg (log BCF = 1.97 for Fatty acid C-Chain C18 sat.+1MEA +1EO being the worst case).
Besides metabolism also the relatively low water solubility and the molecular size reduce the log BCF as estimated by the model. Both parameters are discussed within the literature whether certain threshold values are suitable as cut-off criteria for indication of limited bioaccumulation. Regarding molecular size, the PBT working group on hazardous substances discussed a maximum diameter of > 17.4 Å (Comber et al., 2006). The average diameter of the main components of the test item are determined to be 19.98 – 21.39 Å (DiamMax-Average), depending on its conformation. When used as single mitigating factors (no combination with other factors), metabolism and size reduce the overall bioaccumulation. All in all, based on the predicted log BCF of 1.15 – 1.97, a significant bioaccumulation is not expected in animal tissues. The structure of the main components of the test item is covered by 100 % by the applicability domain.
- EPISuite v4.1/BCFBAFv3.01: BCF values for the main components of the test item (UVCB) in the range of 74 – 156 were estimated on the basis of the log Kow of 5.4 - 5.9. Using the Arnot-Gobas method including biotransformation rates, the BCF for the upper trophic level was estimated to be in a range of 68- 122 L/kg.
CONCLUSIONS ,
Following the calculated log Kow values of 5.4 – 5.9 and an experimentally derived Log Pow value of >5, bioaccumulation in organisms may not be excluded. The bioaccumulation potential is therefore estimated on the basis of a worst-case log Kow in the range of 5.4 - 5.9.
The two QSAR models (CATALOGIC v5.11.2, BCFBAF v3.01) calculate a maximum BCF value of 20063 L/kg. However, considering mitigating factors like biotransformation, water solubility and molecular size, the BCF is reduced to values between 14 and 156 L/kg indicating a low potential for bioaccumulation. In addition, due to the readily biodegradability, the adsorption (log Koc > 3) and the limited water solubility (30 mg/L) exposure of aquatic organisms to significant amounts is unlikely. Therefore, unacceptable risks due to possible bioaccumulation are not expected.
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