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EC number: 262-634-6 | CAS number: 61167-58-6
- 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:
- 28 March to 12 April 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- The mean water solubility values obtained from the two tests with different flows differed by 56.8%. This difference in mean recoveries is outside of the acceptance criteria of 30% for column elution as defined by the OECD Guideline 105.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- United States Environmental Protection Agency, Washington, D.C. 20460
- Type of method:
- column elution method
- Water solubility:
- 0.123 µg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 5
- Remarks on result:
- other: mean value of two flow rates
- Details on results:
- 0.158 μg/L at flow rate of approximately 12.5
0.0883 μg/L at flow rate of approximately 6.25 - Executive summary:
The mean water solubility of the test item was determined in purified reagent water by the column elution method. The overall mean water solubility was determined to be 0.123 μg/L. The two flow rates have a calculated percent difference of 56.8%. The deviation will have minimal impact on the study.
Reference
RESULTS
Prior to the definitive test, two initial definitive tests were conducted at Smithers Viscient in February and March 2017. Both experiments were repeated due to variable analytical recoveries and failure of the analytical recoveries to meet acceptance criteria. The test was repeated and the results of the definitive column elution test are presented below. The temperature during testing ranged from 20.0 to 20.4 °C. At the termination of the column elution test, all samples were measured to have a pH value of 5 using pH indicator strips.
Twelve of the fractions were collected from the test system for each of the respective flow rates for the evaluation of the water solubility. The mean water solubility of the test item was determined to be 0.158 ± 0.0362 μg/L at a flow rate of 12.5 mL/hour and 0.0883 ± 0.0147 μg/L at a flow rate of 6.25 mL/hour using the column elution method. The mean water solubility values obtained from the two tests with different flows differed by 56.8%. This difference in mean recoveries is outside of the acceptance criteria of 30% for column elution as defined by the OECD Guideline 105. The high variability has been attributed to the water solubility results being at approximately the LOQ. The overall mean water solubility was determined to be 1.23 × 10-7 g/L (0.123 μg/L).
Analysis of the quality control (QC) samples resulted in measured concentrations that were consistent with the predetermined recovery range and ranged from 82.1 to 94.0 % of the nominal concentrations. Based on these results, it was determined that the appropriate quality control was maintained during the analyses of the exposure solutions.
Results for the determination of water solubility for the test item in purified reagent water.
Replicate |
12.5 mL/hour |
pHa |
6.25 mL/hour |
pHa |
A1 |
--b |
5 |
0.0783 |
5 |
A2 |
0.109 |
5 |
0.0832 |
5 |
A3 |
0.131 |
5 |
0.1097 |
5 |
A4 |
0.190 |
5 |
0.0965 |
5 |
A5 |
0.184 |
5 |
0.0739 |
5 |
A6 |
0.178 |
5 |
--b |
5 |
Mean: |
0.158 |
0.0883 |
||
Standard Deviation: |
0.0362 |
0.0147 |
||
% Relative Standard Deviation: |
22.9% |
16.6% |
||
Overall Mean: |
0.123 |
|||
Overall Standard Deviation: |
0.0452 |
|||
Overall % Relative Standard Deviation: |
36.6% |
|||
Overall % Difference Between Flow Rates: |
56.8%c |
a pH measurements were recorded with EMD pH strips.
b Data not reported.
c See Protocol Deviations.
Note: Calculations were performed using unrounded analytical data, and not the rounded values (three significant figures) presented in this table.
PROTOCOL DEVIATIONS
1. The protocol states that a minimum of five of the samples eluted between the two turbidity samples will be assayed using a validated analytical method. Each sample to be analyzed must be separated from the sample before it by the passage of ten bed volumes. The unused samples that fall between the samples to be analyzed may be discarded. Due to problems encountered during this testing, the decision was made to analyze the “unused samples” to obtain more data that could be useful to troubleshooting the analysis. Since the wording of the protocol states, “Each sample analyzed must be separated from the sample before it by the passage of ten bed volumes”, this is a deviation from the protocol. This deviation will have no impact on the study because the samples marked for analysis were the only samples reported and were separated by the passage of ten bed volumes accordingly. The decision to analyze all samples was made and recorded appropriately in the raw data, but the wording of the protocol was not amended contemporaneously. Going forward, this protocol wording will be modified to allow the analysis of extra samples for troubleshooting purposes.
2. The protocol states that five successive fractions from the second set must also show an agreement within 30% concentration to demonstrate equilibrium. It also states that two sets must agree with one another in order for the test to be considered satisfactory. The samples reported for the two intervals of this analysis agree within the 30% concentration range among each individual flow rate, but are not within a 30% agreement of one another. The two flow rates have a calculated percent difference of 56.8%. The deviation will have minimal impact on the study. This requirement of the protocol and guideline works well for most compounds, but the extraordinarily low water solubility determined for this compound makes this requirement much more difficult to fulfill. The reported water solubility for this compound was 0.123 μg/L and the limit of quantitation for this analysis was 0.05 μg/L. At the low concentrations encountered in testing, the concentration variability was very high as demonstrated throughout the individual results of each sampling even processed. This high relative variability can be expected at such low concentrations since extremely small changes in concentration have a large impact by percentage. Since the variability was so high and the sample concentrations so close to the LOQ of the validated analysis, it was mutually decided with the Study Sponsor that reporting the data with this percent difference between flow rates was justified.
Description of key information
The water solubility of the test substance is 0.123 µg/L at 20 °C, pH = 5 (OECD 105, column elution method method)
Key value for chemical safety assessment
- Water solubility:
- 0.123 µg/L
- at the temperature of:
- 20 °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.
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