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Diss Factsheets
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EC number: 700-043-1 | 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 17 May 2008 to 15 July 2008
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not effect the quality of the results.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- yes
- Remarks:
- Due to the nature of the substance both a visual estimation of water solubility was obtained and also a calculation performed using computer-based specialist estimation software.
- Principles of method if other than guideline:
- See discussion section.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: visual estimate and computer estimation.
- Water solubility:
- < 1.1 mg/L
- Temp.:
- 20 °C
- pH:
- 6.8
- Details on results:
- Visual Estimation:
The water solubility has been determined to be less than 1.1 mg/l, as excess undissolved test material was present in the sample. The pH of the solution was 6.8.
Atom/Fragment Contribution:
Information supplied indicated that the test material was mono(hydroxymethacryloxypropoxypropyl) polydimethylsiloxane, with a molecular weight of ~500-1000 g/mole. Calculations, based on the lower and higher ends of this range, gave a water solubility estimate of 0.003695 to 6.6 x 10-13 mg/l at 25°C. - Conclusions:
- Using a visual estimation technique, the test material has been determined to have a water solubility of less than 1.1 x 10-3 g/l at 20.0 ± 0.5°C. Using an atom/fragment contribution method, the water solubility of the test material has been estimated to be 3.695 x10-6 to 6.6 x 10-16 g/l at 25°C.
- Executive summary:
Method
The determination was carried out using a procedure based on the flask method, Method A6 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC).
The calculation was performed using computer-based specialist estimation software, WSKOWWIN, version 1.41, © 2000 US Environmental Protection Agency.
Conclusion
Using a visual estimation technique, the test material has been determined to have a water solubility of less than 1.1 x10-3g/l at 20.0 ± 0.5°C. Using an atom/fragment contribution method, the water solubility of the test material has been estimated to be 3.695 x10-6to 6.6 x 10-16g/l at 25°C.
Reference
Discussion:
It is possible that the test material had not reached saturation equilibrium in the visual estimation and that impurities may have influenced the results.
Attempts were made to develop a validated low concentration analytical method using solvent-solvent extraction, solid-phase extraction and freeze-drying methodologies; the best recoveries were determined for the freeze-drying methodology, which gave a mean recovery of 67.5% (range: 61.2 to 72.2 %). These results were not particularly ideal, but a decision was made to perform a flask-shake test. However, on performing a flask-shake test, it was noted that all of the sample solutions contained excess undissolved test material as a fine dispersion throughout the samples, which could not be removed by ultra-centrifugation. As the guideline states that the samples should be free from undissolved material, the samples were filtered using sub-micron membrane filters, which resulted in solutions visibly free from undissolved test material. Recoveries were then repeated using sub-micron filtration of the samples before the freeze-drying step, which resulted in no test material being recovered (none detected). This would indicate that the majority of the test material was removed by the filter(s), which would propose that the majority of the test material was not actually dissolved in the initial recovery solutions, but would have been finely dispersed. Therefore, as no acceptable recovery methodology could be found, it was decided to determine the water solubility by visual appraisal and estimation using computer-based estimation software.
Description of key information
Using a visual estimation technique, the test material has been determined to have a water solubility of less than 1.1 x10-3g/l at 20.0 ± 0.5°C.
Key value for chemical safety assessment
- Water solubility:
- 1.1 mg/L
- at the temperature of:
- 20 °C
Additional information
Method
The determination was carried out using a procedure based on the flask method, Method A6 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC).
The calculation was performed using computer-based specialist estimation software, WSKOWWIN, version 1.41, © 2000 US Environmental Protection Agency.
Conclusion
Using a visual estimation technique, the test material has been determined to have a water solubility of less than 1.1 x10-3g/l at 20.0 ± 0.5°C. Using an atom/fragment contribution method, the water solubility of the test material has been estimated to be 3.695 x10-6 to 6.6 x 10-16 g/l at 25°C.
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