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EC number: 601-779-5 | CAS number: 121451-02-3
- 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:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 31 July 2000 - 09 August 2000
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Study conducted in compliance with agreed protocols, with no or minor deviations from the standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to valid guidelines and conducted under GLP conditions.
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- column elution method
- Key result
- Water solubility:
- 0.194 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 6.18 - <= 6.65
- Remarks on result:
- other: ± 0.025 mg/L
- Details on results:
- Preliminary Study:
A preliminary study was not conducted since a molecule similar to the test material indicated a solubility of > 10 E-03 g/L, which is the upper recommended range for the column elution method.
Method Evaluation:
The spiked units from two separate stock solutions were found to have recovery values of 103 and 96.8 %, confirming the effectiveness of the method.
The five working standard solutions, prepared from separate stock solutions, indicated that the samples were assayed in a linear range for the method.
The method ws determined to be suitable to assay the units within the working range based on the correlation coefficient.
Solubility determination:
The solubility results can be seen in Table 2. The relative difference between each replicate was less than 30 %, confirming that the solubility values reflected an equilibrium of saturated solutions.
The fractions collected from the 6 mL/hr flow rate were not required.
No bias from pH solutions was observed, see Table 3.
Contents of vials were inspected to determine if a ‘Tyndall’ effect occurred as light passed through the solution. No discolouration was observed. Neither cloudiness nor particulate matter was observed.
The representative calibration curve from standards of the test material showed linearity of the curve with a correlation coefficient (r) of 0.9984474. - Conclusions:
- Interpretation of results: slightly soluble (0.1-100 mg/L)
Under the conditions of the test, the solubility of the test material was determined to be 0.194 ± 0.025 mg/L at 20 ± 0.5 °C. - Executive summary:
The water solubility of the test material was determined using the column elution method in a GLP study conducted in accordance with the standardised guidelines EPA OPPTS 830.7840 and OECD 105.
The water solubility was determined in unbuffered at 20 ± 0.5 °C. Saturated aqueous sampled were prepared by elution of unbuffered water through a column packed with an inert support, coated with the test material. The water was eluted through the column at two flow rates, 25 mL/hr and 12 mL/hr. Replicate samples were assayed by HLPLC and an average concentration was determined for each flow rate. The two solubility values were averaged, and the solubility value for each flow rate was within 30 % of the average. An external calibration curve was prepared by analysing standard solution of the test material and the concentrations of the samples were determined from the calibration curve.
Under the conditions of the test, the solubility of the test material was determined to be 0.194 ± 0.025 mg/L at 20 °C.
Reference
Table 2: Solubility in Unbuffered Water
Sample ID* |
Concentration (ng/mL) |
Average (ng/mL) |
SD (n=5) |
V7:12 |
166 |
194 |
28 |
V8:12 |
221 |
||
V9:12 |
196 |
||
V10:12 |
223 |
||
V11:12 |
164 |
||
V7:25 |
189 |
193 |
23 |
V8:25 |
214 |
||
V9:25 |
157 |
||
V10:25 |
231 |
||
V11:25 |
189 |
*Vial:Elution Flow (mL/hr)
Table 3: pH values
Sample ID* |
pH |
Initial unbuffered water |
6.65 |
V6:12 |
6.18 |
V12:12 |
6.23 |
V6:25 |
6.23 |
V12:25 |
6.25 |
*Vial:Elution Flow (mL/hr)
Description of key information
Water solubility 0.194 mg/L at 20 °C, column elution method, EPA OPPTS 830.7840, OECD 105, Busse 2000.
Key value for chemical safety assessment
- Water solubility:
- 0.194 mg/L
- at the temperature of:
- 20 °C
Additional information
The water solubility of the test material was determined using the column elution method in a GLP study conducted in accordance with the standardised guidelines EPA OPPTS 830.7840 and OECD 105. The study was assigned a reliability score of 1, reliable without restrictions, in line with the principles of Klimisch et al. (1997).
The water solubility was determined in unbuffered at 20 ± 0.5 °C. Saturated aqueous sampled were prepared by elution of unbuffered water through a column packed with an inert support, coated with the test material. The water was eluted through the column at two flow rates, 25 mL/hr and 12 mL/hr. Replicate samples were assayed by HLPLC and an average concentration was determined for each flow rate. The two solubility values were averaged, and the solubility value for each flow rate was within 30 % of the average. An external calibration curve was prepared by analysing standard solution of the test material and the concentrations of the samples were determined from the calibration curve.
Under the conditions of the test, the solubility of the test material was determined to be 0.194 ± 0.025 mg/L at 20 °C.
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