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Diss Factsheets
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EC number: 262-911-1 | CAS number: 61698-32-6
- 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
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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:
- From 20 September 2021 to 15 February 2022
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- 2014
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Date of inspection: 18-20 August 2020, Date on certificate: 04 March 2021
- Type of method:
- flask method
- Key result
- Water solubility:
- 194 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Loading of aqueous phase:
- 2 120 mg/L
- Temp.:
- 20 °C
- pH:
- 5
- Remarks on result:
- other: Mean of 24, 48 and 72 h incubation duration results
- Conclusions:
- The solubility of the test item in water at 20 ± 0.5 °C based on three determinations with the
shake flask method was 194 mg/L. - Executive summary:
A study was performed to assess the water solubility of test item by the shake flask method in accordance with OECD Guideline 105 and EU Test Method A.6 in accordance with GLP.
Three determinations in ultrapure water were carried out. About 530 mg of the test item was mixed with 250 mL of water (loading rate 2120 mg/L corresponding to 5 times the approximate solubility measured in the preliminary tests). The solutions were stirred for incubation times of 24h, 48h and 72h at 30°C for vessels 1, 2 and 3 respectively. The test item concentrations were determined after an equilibration period of 24h at the test temperature of 20°C.
The solubility of the test item in water at 20 ± 0.5 °C based on the mean of three determinations with the shake flask method measured with a validated HPLC method was 194 mg/L.
Reference
Preliminary Test
A preliminary test was carried out as a range finding test prior to the main test. The concentration range obtained gave an indication on the necessary analytical method sensitivity.
Increasing volumes of water were added at room temperature to 21.4 mg of the test sample in a 100 mL flask. After each addition of an amount of water, the mixture was shaken for 10 minutes and was visually checked for any undissolved parts of the sample.
The approximate solubility deduced from the necessary volume of pure water in which complete dissolution of the sample occurred is given in the table below.
Volume of water added (mL) | Solubilisation? | Approximate solubility |
1 | NO | - |
10 | NO | - |
100 | NO | < 214 mg/L |
The test item (21.4 mg) was not solubilized by a water volume of 100 mL after 24 hours, corresponding to a solubility of less than 214 mg/L. Nevertheless, powder was observed on the wall of the flask or at the surface of the water. Therefore, another preliminary was performed.
10 mL of water were added at room temperature to 11.8 mg of the test sample in a 10 mL flask. The mixture was alternatively shaken with a vortex mixer and introduced in an ultrasonic bath. The content of the flask was then centrifuged (2850 g at 20°C for 15 minutes) and the supernatant analysed. The concentration measured was 421 mg/L. This value approximates the test item water solubility.
This value is greater than 10 mg/L, therefore the shake flask method was chosen to determine the solubility of the test item in ultrapure water.
Main Test
After the centrifugation of the samples, solid particles of the test item were observed at the bottom and in the surface of the containers, meaning that the test item was introduced in excess.
The following table presents the loading rates applied and the concentrations obtained during the study for each vessel.
Incubation time at 30°C | Introduced test item (mg) | Loading rate (mg/L) | Analysis 1 (mg/L) | Analysis 2 (mg/L) | Average concentration (mg/L) | |
Vessel 1 | 24 h | 529.8 | 2120 | 183 | 188 | 186 |
Vessel 2 | 48 h | 530.5 | 2120 | 192 | 188 | 190 |
Vessel 3 | 72 h | 530.6 | 2120 | 205 | 208 | 207 |
Mean (mg/L) | 194 | |||||
Maximum difference | 10.7% |
The equilibrium was considered as reached because the concentrations measured in the three vessels did not differ by more than ±15% (maximum difference of 10.7% between the samples at 186 mg/L and 207 mg/L). The test item water solubility was then calculated as the mean of the three samples concentrations: 194 mg/L.
The pH values measured in all three vessels, at the beginning and at the end of the experiment were 5 in each case.
The study was considered as valid since:
- the equilibrium was reached for the three vessels;
- the pH variation did not exceed 2 pH units
Description of key information
194 mg/L; OECD 105 (flask method); Mata, L. (2022)
Key value for chemical safety assessment
- Water solubility:
- 194 mg/L
- at the temperature of:
- 20 °C
Additional information
pH of saturated solution: 5
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.
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