Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 457-630-8 | CAS number: 2138836-26-5
- 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:
- From September 22, 2004 to October 15, 2004
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Key result
- Water solubility:
- 475.3 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- ca. 5.4
- Remarks on result:
- other: SD: 32.4 g/L
- Conclusions:
- Under the study conditions, the water solubility of the test substance at a temperature of 20°C was determined to be 475.3 g/L.
- Executive summary:
A study was conducted to determine the water solubility of the test substance, according to OECD Guideline 105 and EU Method A.6, in compliance with GLP.
Due to the fact that it was not possible to stir about five times of the visual estimated quantity with distilled water, only 20 to 23 g of the homogenised test substance were stirred with 20 mL distilled water. Due to the fact that it was not possible to centrifuge and filter in the experiments A to C of the first main test, further preliminary tests were done. Weighed amounts of the homogenised test substance were added in portions to 20 mL distilled water, treated with ultrasonic and stirred for 1 h at 30°C and for approximately 18 h at 20°C. Aliquots of the aqueous phase were taken, centrifuged (30 minutes, 20°C, and 15000 rpm) and filtrated (0.2 µm). Aliquots of the filtrate were diluted with distilled water. The concentrations of the test substance were determined by HPLC.
For the main test, three weighed amounts of the homogenised test substance were added in portions to 20 mL distilled water and stirred for different times at 30°C (experiment K for 24 h, experiment L for 48 h, experiment M and N for 72 h) in tightly closed flasks. After equilibration (24 h at 20°C) aliquots of the saturated aqueous phase were taken and centrifuged (30 minutes, 20°C, 15000 rpm) and filtrated (0.2 µm). Aliquots of the filtrate were diluted with distilled water by weighing the aliquot and the end volume. Due to the fact that the aliquots of the saturated aqueous phases were highly viscous, the aliquots were weighed. The concentration of the test substance was determined by HPLC. Another experiment was performed according to this procedure but without test substance ("blank"= N).
Under the study conditions, the water solubility of the test substance at a temperature of 20°C was determined to be 475.3 g/L.
Reference
Preliminary Visual Estimation of the Water Solubility
Increasing water amounts were added stepwise to about 100 mg of the test substance.
Table: Appearance of the test mixtures
Amount of the test substance (mg) |
Total volume (mL) |
Appearance of mixture |
96.55 |
0.1 |
Undissolved |
0.5 |
Dissolved |
The preliminary visual experiments showed that the water solubility of the test substance was between 190 and 970 g/L.Therefore, the water solubility had to be determined by the "flask-method".
Due to the fact that it was not possible to stir about five times of the visual estimated quantity with distilled water, only 20 to 23 g of the homogenised test substance were stirred with 20 mL distilled water.
Table: results of the first main test
Experiment |
Amount of the test substance (g) |
Distilled water (mL) |
Dilution with water |
Measured concentration (HPLC) in g/L |
A |
23.26 |
20 |
0.061 g - 99.59 g |
540 |
B |
22.27 |
20 |
0.065 g - 99.69 g |
521 |
C |
20.08 |
20 |
0.058 g - 99.72 g |
493 |
It was not possible to filter the solutions in experiments A to C. The solutions appeared as highly viscous. Only experiment C showed after a few minutes a liquid phase on the surface of the solution. For experiment C, this phase was used for dilution. The result of experiment C confirmed the results of the experiments K to M. Due to the fact that it was not possible to filter the solutions in experiments A to C, further preliminary tests were done. Weighed amounts of the homogenised test substance were added in portions to 20 mL distilled water, treated with ultrasonic and stirred for 1 h at 30°C and for approximately 18 h at 20°C. Aliquots of the aqueous phase were taken, centrifuged (30 minutes, 20°C, 15000 rpm) and filtrated (0.2 µm). Aliquots of the filtrate were diluted with distilled water. The concentration of the test substance was determined by HPLC.
Table: Additional preliminary tests
Experiment |
Amount of the test substance (g) |
Distilled water (mL) |
Dilution with water |
Measured concentration (HPLC) in g/L |
E |
2.99 |
20 |
0.021 g - 99.71 g |
136 |
F |
5.04 |
20 |
0.022 g - 99.79 g |
200 |
G |
7.97 |
20 |
0.022 g - 99.59 g |
294 |
H |
10.02 |
20 |
0.023 g - 99.53 g |
344 |
I |
12.00 |
20 |
0.023 g - 99.57 g |
382 |
J |
14.04 |
20 |
0.023 g - 99.66 g |
412 |
Flask-Method
Table: Water solubility of the test item - experiments K to N
Experiment |
K |
L |
M |
N (Blank) |
Amount of test substance (g) |
15.87 |
18.01 |
14.06 |
- |
Stirring time at 30°C (h) |
24 |
48 |
72 |
72 |
pH at room temperature |
5.3 |
5.4 |
5.4 |
7.0 |
aliquot (g) |
0.07831 |
0.07411 |
0.08015 |
0.10682 |
end volume (g) |
99.59 |
99.61 |
99.74 |
99.70 |
Measured concentration (mg/L) |
380.7/377.2 |
377.6/372.0 |
358.5/348.8 |
- |
Mean concentration (mg/L) |
379 |
374.8 |
353.7 |
- |
Water solubility (g/L) |
482 |
503.8 |
440.1 |
- |
Average experiments K to M (without correction for the purity): 475.3 g/L
Standard deviation: 32.4 g/L
Relative standard deviation: 6.8%
Table: Concentrations of standards for recheck:
Standard |
Measured concemtration (mg/L) |
% Recovery |
Standard F (c= 317.8 mg/L) |
331.6 |
104 |
Standard A (c =826.9 mg/L) |
825.8/826.4 |
100 |
Recoveries of the 'Recheck samples' ranged between 100% and 104%, indicating a good accuracy of the analytical method.
Description of key information
The water solubility of the test substance at a temperature of 20°C was determined to be 475.3 g/L (Schminke, 2004).
Key value for chemical safety assessment
- Water solubility:
- 475.3 g/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.
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.