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EC number: 943-938-4 | CAS number: 28214-91-7
- 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
Water solubility
Administrative data
Link to relevant study record(s)
Description of key information
In a study using the flask method (Laus 2014), the water solubility could not be conclusively assessed, due to the inability of the lab to achieve a clear solution. After several-fold dilution, the clear solution contained no detectable amount of the test substance. A QSAR according to Waternt v1.01 (EPIWIN) showed a water solubility of 4.7E-04 µg/L. This low value indicates that the water solubility of LiDNNSA is similar to the water solubility of the structural analogues DNNSA and BaDNNSA.
Key value for chemical safety assessment
- Water solubility:
- 0.229 mg/L
- at the temperature of:
- 20 °C
Additional information
In the water solubility tests that are available for all three compounds, difficulties to assess an actual value were seen. This is not surprising in view of the complex structure of the substances. The ECHA guidance on Information Requirements indicates for UVCB substances: “solubility of a single substance in water is not applicable to substances which are multi-component, such as multi-constituent or UVCB substances, i.e. complex substances. The usually accepted meaning of ‘solubility’ in such cases is ‘the composition of the aqueous solution formed at equilibrium under a defined set of conditions’. Temperature and the amount of substance added per unit volume of water (i.e. the ‘loading’) are the main factors to consider. It may not always be possible to establish that equilibrium of all components has been achieved; in these cases, time and type of agitation of the test vessels must also be described”. Different components of the UVCB may exhibit different water solubility, so that in practice water solubility is not a single point, but likely to a range. It is noted that for complex substances water solubility may also be dependent on the loading rate. In addition, the analytical method (in all available studies based on a single peak in the chromatogram) may influence the assessed value strongly.
The methods to assess the water solubility of LiDNNSA, BaDNNSA and DNNSA included both column elution and slow stirring approaches. The flask test with LiDNNSA showed that the water solubility could not be conclusively assessed, as the clear solution achieved only after multiple dilutions produced measurements below the LOQ of the test substance. The preparation of an analyzable solution without any dissolved particles was not described in detail in all of the available reports. Problems associated with turbidity of the eluted solutions were not reported in the studies with the source substances, but were seen clearly in the study on the target substance. Nevertheless all studies on the three substances claim that no particles were present in the analyzed samples.
In view of the uncertainties described above, QSARs were run using the Epiwin model for LiDNNSA, although the Epiwin model in principle is not suitable for salts. The structures of LiDNNSA as shown in table 1 can be modelled but do not reflect the actual substance accurately, as this substance is an ionizable salt. Therefore the most reliable estimation for water solubility will be based on the test with the acid, which shows a water solubility of 0.229 mg/L. This value is considered to represent a worst case estimate for use in any risk assessment of the target substance.
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