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EC number: 474-870-9 | CAS number: -
- 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:
- 19 October 2006 to 24 November 2006
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Water solubility:
- 208.3 g/L
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not detailed within the report. RSD 0.7%. Result corrected for the purity of 52.5%
- Water solubility:
- 396.7 g/L
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not detailed within the report. RSD 0.7%. Result not corrected for the purity of the substance.
- Details on results:
- The preliminary visual experiments showed that the water solubility of the test item is between 510 g/l and 610 g/l. Therefore the water solubility had to be determined by the “flask-method”.
- Conclusions:
- The water solubility cS of the test item at a temperature of 20°C was determined as follows (with correction for the purity of 52.5 %):
Cs = 208.3 g/l
RSD = 0.7%
The water solubility cS of the test item at a temperature of 20°C was determined as follows (without correction for the purity):
CS = 396.7 g/l
RSD = 0.7% - Executive summary:
The purpose of this study was the determination of the water solubility c5of the test item according to the consolidated version of Guideline 67/548/EEC Annex V (Council Directive 92/69/EEC), PartA:Methods for the determination of physico-chemical properties, A.6. Water solubility; flask-method and OECD test guidelines, OECD 105 (1995) Water solubility. The study was performed in accordance with the Principles of Good Laboratory Practice (GLP) and reported with a valid GLP certificate.
Different preliminary tests were performed with different amounts of the test item and different volumes of water. The mixtures were stirred or treated with ultrasound and visually checked for any undissolved parts. Due to the high water solubility it had to be tested which amount of the test item could be stirred in a defined volume of water.
For the main test three flasks were prepared with about 17 g of the test item and 25 ml distilled water. The batches were stirred for different times at 30°C(experiment G for 72 h, experiment F for 48 h, experiment E for 24 h) in tightly closed flasks. After equilibration for 24 h at 20°Caliquots of the saturated aqueous phase were taken and centrifuged (30 minutes, 20°C,15000 rpm). Aliquots of the clear viscous aqueous phases were filtered through 0.2 μm membrane filters and diluted approx. 0.1 to 1 00 with the eluent at the beginning of the HPLC-measurement.
The preliminary visual experiments showed that the water solubility of the test item is between 510 g/l and 610 g/l. Therefore the water solubility had to be determined by the "flask-method".
The water solubility cSof the test item at a temperature of 20°C was determined as follows (with correction for the purity of 52.5 %):
Cs=208.3 g/l
RSD = 0.7%
The water solubility cSof the test item at a temperature of 20°C was determined as follows (without correction for the purity):
CS= 396.7 g/l
RSD = 0.7%
Reference
Preliminary Visual Estimation of the Water Solubility and stirring test: Several preliminary test were performed with different amounts of the test item and different volumes of water.
Table 1: Appearance of the test mixtures – solubility test
Amount of the test item in g (total amount) |
Total volume in ml |
Appearance of mixture |
6.11 |
20 |
Dissolved*1) |
+ 2.05 (8.16) |
Dissolved*2) |
|
+ 1.01 (9.17 |
Dissolved*3) |
|
+ 0.99 (10.16) |
Dissolved*3), cS>510 g/l |
|
+ 2.05 (12.21) |
Undissolved*4), cS<610 g/l (379 g/kg) |
*1): After adding the indicated amount of water, the solution was stirred for 15 minutes.
*2): After adding the indicated amount of water, the solution was stirred for 30 minutes.
*3): After adding the indicated amount of water, the solution was stirred for 20 minutes.
*4): After adding the indicated amount of water, the solution was stirred for about 15 hours. 1g of this solution was centrifuged after stirring.
The preliminary visual experiments showed that the water solubility of the test item is between 510 g/l and 610 g/l. Therefore the water solubility had to be determined by the “flask-method”.
Table 2: Appearance of the test mixtures – stirring test
Amount of the test item in g (total amount) |
Amount of water in g (total amount) |
Appearance of mixture |
11.8 |
19.38 |
Could be stirred |
+ 1.95 (13.75) |
Could be stirred at room temperature (viscous) |
|
+ 1.99 (15.77) |
Could be stirred at room temperature (viscous), but not at 20°C |
|
+ 2.0 (21.38) |
Could not be stirred at 20°C |
|
+ 1.0 (22.38) |
Could not be stirred at 20°C |
|
+ 1.0 (23.38) |
Could be stirred at 20°C |
The stirring test showed that about 400 g/kg test item can be used for the flask method.
Flask-Method
Table 3: Water solubility of the test item – experiment E to H
Experiment |
E |
F |
G |
H (blank) |
Amount of test item (g) |
16.9 |
16.8 |
16.9 |
-- |
Stirring time at 30°C (h) |
24 |
48 |
72 |
72 |
pH at 24°C |
3.9 |
4.0 |
4.0 |
5.8 |
Aliquot of the flasks (mg) |
100.0 |
99. |
102.1 |
153.1 |
Amount of eluent (g) |
100.4 |
100.4 |
100.4 |
100.5 |
Measured concentration (g/l) |
397.3 / 397.2 |
393.6 / 393.5 |
400.1 / 400.3 |
-- |
Mean concentration (g/l) |
397.2 |
393.6 |
400.2 |
-- |
Water solubility (g/l) |
399.2 |
397.2 |
393.8 |
-- |
Average experiment E to G (without correction for the purity): 396.7 g/l
Standard deviation: 2.7 g/l
Relative standard deviation: 0.7%
Table 4: Concentration of standards for recheck:
Standard |
Measured concentration (g/l) |
% Recovery (mean value) |
Standard 4 (c = 480.9 mg/l) |
460.0 |
95.6 |
Standard C (c = 323.2 mg/l) |
321.1 320.21 / 321.5 |
99.4 99.3 |
Recoveries of the ‘Recheck sample’ ranged from 95.6% to 99.4%, indicating a good accuracy of the analytical method.
Description of key information
The water solubility cSof the test item at a temperature of 20°C with correction for the purity is 208.3 g/l, without correction for the purity, it is 396.7 g/l
Key value for chemical safety assessment
- Water solubility:
- 396.7 g/L
- at the temperature of:
- 20 °C
Additional information
The water solubility of the test item was determined according to methods A.6. Water solubility; flask-method and OECD test guidelines, OECD 105 (1995) Water solubility.
Different preliminary tests were performed with different amounts of the test item and different volumes of water. The mixtures were stirred or treated with ultrasound and visually checked for any undissolved parts. Due to the high water solubility it had to be tested which amount of the test item could be stirred in a defined volume of water.
For the main test three flasks were prepared with about 17 g of the test item and 25 ml distilled water. The batches were stirred for different times at 30°C(experiment G for 72 h, experiment F for 48 h, experiment E for 24 h) in tightly closed flasks. After equilibration for 24 h at 20°Caliquots of the saturated aqueous phase were taken and centrifuged (30 minutes, 20°C,15000 rpm). Aliquots of the clear viscous aqueous phases were filtered through 0.2 μm membrane filters and diluted approx. 0.1 to 1 00 with the eluent at the beginning of the HPLC-measurement.
The water solubility cSof the test item at a temperature of 20°C was determined as follows (with correction for the purity): Cs=208.3 g/l; RSD = 0.7%
The water solubility cSof the test item at a temperature of 20°C was determined as follows (without correction for the purity): CS= 396.7 g/l; RSD = 0.7%
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