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EC number: 953-704-3 | CAS number: 2411191-47-2
- 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:
- Experimental Dates (main test): September 23 to October 2, 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study was conducted according to an internationally recognised method, with some adaptation as recommended by ECHA conducted according to scientific principles, and under GLP. The substance is adequately characterised. Therefore full validation applies.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 27 July 1995
with slow-stirring adaptation, according to the findings of Letinski et al (2002) - Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- Regulation (EC) No 440/2008, with last update to the A6 method by Regulation (EU) No 260/2014)
and slow-stirring adaptation, according to the findings of Letinski et al (2002) - Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- signed on 15 Nov. 2018
- Type of method:
- flask method
- Remarks:
- with slow-stirring adaptation
- Specific details on test material used for the study:
- Actual storage conditions: Ambient temperature.
- Key result
- Water solubility:
- 50.3 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 1.02 g/L
- Incubation duration:
- 24 - 168 h
- Temp.:
- 20 °C
- pH:
- 4.87 - 5.65
- Executive summary:
The water solubility of the test substance was measured under GLP according OECD 105 guideline, modified with slow-stirring adaptation from Lentinski et al (2002).
Three vessels were prepared, at 20°C. Quantification was performed with a validated HPLC-DAD method. The first vessel was used to determine the equilibration time. When achieved, the test item concentration was determined in the other two vessels.
The water solubility was calculated as the average of the three vessels at the final sampling time: 50.3 mg/L (at 20°C and pH ca 5.3).
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 20.8 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 test item (20.8 mg) was not solubilized by a water volume of 100 mL after 24 h, corresponding to a solubility inferior to 0.197 g/L (taking purity into account).
After that, the contents of the flask were poured into a 1 L flask. The test item was solubilized by a water volume of 1 L, corresponding to a solubility between 19.7 mg/L and 197 mg/L.
It was observed, during this preliminary test and the ecotoxicity tests, that the test item is less dense than water.
Estimates of water solubility were also obtained from estimation program. For the test item, using (Q)SAR methods, predictions of 111 mg/L (ChemAxon’s solubility predictor) and 35 mg/L (Kreatis, data provided by the study monitor) were obtained.
Main test
Concentrations profiles
The following table presents the concentrations (in mg/L) obtained during the study for the vessel 1:
Equilibration time (h) | Replicate 1 | Replicate 2 | Mean |
Preparation (T0) | - | - | - |
ca 24h | 49.787 | 47.644 | 48.716 |
ca 48h | 55.491 | 53.651 | 54.571 |
ca 72h | 51.590 | 54.621 | 53.106 |
ca 96h | 46.597 | 52.651 | 49.624 |
ca 168h | 51.346 | 50.599 | 50.973 |
Sampling in vessels 2 and 3 occurred after ca 168 h. The concentrations measured (in mg/L) for these two vessels were:
Replicate 1 | Replicate 2 | Mean | |
Vessel 2 | 46.514 | 50.407 | 48.461 |
Vessel 3 | 51.132 | 52.032 | 51.582 |
The pH values measured in the three systems were:
- 5.18 in vessel 1 and 5.70 in vessels 2 and 3 at the beginning of the experiment;
- 5.30 in vessel 1, 5.65 in vessel 2 and 4.87 in vessel 3 at the end of the experiment.
The pH controlled with the indicator strips for each specimen was 5 for all the samples taken from the three vessels.
The temperature variations were included in the range 19.7 °C - 20.3 °C.
Equilibrium demonstration
From the t-test, the equilibrium state can be declared for the vessel 1 between 48h and 168h equilibration time.
The maximum difference observed in the 5 last samples was 9.5%.
Since the two conditions were fulfilled, the equilibrium state was declared at 168h for the vessel 1.
Water solubility calculation
The mean of the two samples at the equilibrium state declaration after 168h was:
- 50.973 mg/L for vessel 1.
The means of the two other vessels, obtained at the equilibration time, after ca 168h, were:
- 48.461 mg/L for vessel 2.
- 51.582 mg/L for vessel 3.
The maximum difference observed between these three determinations is 6 %, which proves that an acceptable repeatability is obtained (the OECD 105 acceptability criterion for the maximum difference between two tests by the column elution method is 30 % and 15 % for the shake flask method).
The test item solubility in water is given by the mean of the values obtained for the three vessels: 50.3 ± 1.4 mg/L.
Description of key information
Considered as slightly soluble, with equilibrium reached from 48h.
pH of saturated solution: 4.9 - 5.7.
Key value for chemical safety assessment
- Water solubility:
- 50.3 mg/L
- at the temperature of:
- 20 °C
Additional information
A fully reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available. Therefore, it is considered as a key study, and the result is retained as key value.
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