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Diss Factsheets
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EC number: 222-581-1 | CAS number: 3539-43-3
- 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- other: assesment of information from sources other than direct experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- EPISuite with additional data from other study reports
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- 1.Using EPISuite calculation: The model used is The Estimation Programs Interface (EPI) Suite developed by the US EPA and the Syracuse Organisation.
The SMILES, MP, BP, VP and estimated partition coefficient has been put through computational modelling to give an estimated water solubility based on structure.
In addition, data from the Partition Coefficient analytical test report – Avomeen Analytical Services (IUCLID 4.7) and the internet have been taken into account. - GLP compliance:
- no
- Type of method:
- other: EPISuite assessment
- Water solubility:
- < 1 mg/L
- Conc. based on:
- test mat.
- Remarks on result:
- not measured/tested
- Remarks:
- value assessed from EPISuite and other data sources
- Conclusions:
- EPISuite calculates that the solubility is <1.0 mg/l based on structure and other phys-chem properties. Work carried out by testing laboratories whilst assessing the partition coefficient reported difficulty in solubilising this substance and suggest that the solubility is <2.5 mg/l. Internet values also suggest that the subtance is not water soluble and has a value of <1 mg/l
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 3 (not reliable)
- Rationale for reliability incl. deficiencies:
- significant methodological deficiencies
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Principles of method if other than guideline:
- A 5 gram portion of the solid test substance, Cola®Fax CPE Lot 59554J17 was weighed into a glass vial equipped with screw cap. To the vial, deionized water was added, and the vial was shaken gently. The vial was equilibrated for 24 hours at 35°C, with occasional agitation. Dissolution was apparent from the clear aqueous layer in the vial. There was also a quantity of undissolved, solid material within the vial.
The sample vial was equilibrated at 25°C overnight and a sample was removed from the clear aqueous layer. An oven dry-down method (2 grams, 1 hour @ 110 °C) was used to determine the amount of dissolved substance in the sample. The second and third sample were analyzed in the same way on subsequent days. - GLP compliance:
- no
- Type of method:
- flask method
- Water solubility:
- 0.55 other: wt %
- Conc. based on:
- test mat.
- Incubation duration:
- 24 h
- Temp.:
- 25 °C
- pH:
- ca. 6
- Remarks on result:
- not determinable because of methodological limitations
- Details on results:
- Value quoted is a mean of three results - 0.55, 0.67 and 0.45 % by wt.
- Conclusions:
- The test substance was determined to be slightly soluble by the method described here. However, the laboratory had to alter the procedure to get any type of result, and the result is low, but higher than expected from other sources, and there was difficulty in obtaining a reasonable data point. The result obtained is therefore not expected to be reliable and further work has been commissioned.
Referenceopen allclose all
Aliquots of sample were taken from the clearest portion of the mixture in the container. A finely dispersed solid was unavoidably present in the aliquot. Attempts to filter or centrifuge the sample were unsuccessful. The results represent an unknown quantity of dispersed solids.
Description of key information
EPISuite calculates that the solubility is <1.0 mg/l based on structure and other phys-chem properties. Work carried out by testing laboratories whilst assessing the partition coefficient reported difficulty in solubilising this substance and suggest that the solubility is <2.5 mg/l. Internet values also suggest that the subtance is not water soluble and has a value of <1 mg/l
Key value for chemical safety assessment
- Water solubility:
- 1 mg/L
- at the temperature of:
- 25 °C
Additional information
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.