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EC number: 680-227-5 | CAS number: 71449-78-0
- 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:
- 03 December 2018 to 10 June 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- yes
- Remarks:
- The procedure for preliminary test is different to that of method. This is not considered to affect the reliability of the study.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Remarks:
- The procedure for preliminary test is different to that of method. This is not considered to affect the reliability of the study.
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Date of Inspection: 21 August 2018 Date of Issue: 19 November 2018
- Type of method:
- flask method
- Key result
- Water solubility:
- < 0 g/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- Remarks on result:
- other: anionic component
- Key result
- Water solubility:
- 0.085 g/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- Remarks on result:
- other: cationic component
- Conclusions:
- The water solubility of the test item has been determined at 20.0 ± 0.5 °C to be less than 1.02 E-04 g/L of solution and 8.45E-02 g/L of solution for the anionic and cationic components of the test item respectively.
- Executive summary:
The water solubility was determined to be less than 1.02 x 10-4g/L and 8.45 x 10-2g/L for the anionic and cationic components of the test item respectively at 20.0 ± 0.5 °C, using the flask method, designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
Reference
Preliminary Test
The preliminary estimate of the water solubility was less than 1.03 x 10-4g/L and greater than 2.0 x 10-2g/L for the anionic and cationic components respectively. The solution had a pH of 4.3.
Definitive Test
The mean peak areas relating to the standard and sample solutions are shown in the following tables:
Table 2 Samples 1 to 3 (Anionic Component)
Solution |
Mean Peak Area |
Standard 0.102 mg/L |
4.09626 x106 |
Standard 0.256 mg/L |
8.13784 x106 |
Standard 0.512 mg/L |
1.29506 x107 |
Standard 0.767 mg/L |
1.54602 x107 |
Standard 1.01 mg/L |
1.71119 x107 |
Standard 1.02 mg/L |
1.71883 x107 |
Standard 2.56 mg/L |
2.79350 x107 |
Standard 5.12 mg/L |
4.12410 x107 |
Matrix blank |
none definitively detected |
Sample 1A |
none definitively detected |
Sample 1B |
none definitively detected |
Sample 2A |
none definitively detected |
Sample 2B |
none definitively detected |
Sample 3A |
none definitively detected |
Sample 3B |
none definitively detected |
The calibration curve from which the sample concentrations were interpolated had a correlation of 0.992 and the following formula:
y = -1.00 x 106x2+ 1.21 x 107x + 5.37 x106
Table 3 Samples 1 to 3 (Cationic Component)
Solution |
Mean Peak Area |
Standard 0.102 mg/L |
6.93175 x106 |
Standard 0.256 mg/L |
1.46662 x107 |
Standard 0.505 mg/L |
1.94866 x107 |
Standard 0.512 mg/L |
2.51987 x107 |
Standard 0.767 mg/L |
2.94927 x107 |
Standard 1.02 mg/L |
3.43298 x107 |
Matrix blank |
none definitively detected |
Sample 1A |
2.18866 x107 |
Sample 1B |
2.16278 x107 |
Sample 2A |
2.64977 x107 |
Sample 2B |
2.65706 x107 |
Sample 3A |
3.05683 x107 |
Sample 3B |
2.94904 x107 |
The calibration curve from which the sample concentrations were interpolated had a correlation of 0.984 and the following formula:
y = -1.61 x 107x2+ 4.73 x 107x + 2.71 x106
Table 4 Samples 4 to 6 (Cationic Component)
Solution |
Mean Peak Area |
Standard 0.100 mg/L |
5.76222 x106 |
Standard 0.251 mg/L |
1.23901 x107 |
Standard 0.502 mg/L |
2.20203 x107 |
Standard 0.509 mg/L |
2.31778 x107 |
Standard 0.752 mg/L |
2.98770 x107 |
Standard 1.00 mg/L |
3.34279 x107 |
Matrix blank |
none definitively detected |
Sample 4A |
2.21111 x107 |
Sample 4B |
2.22164 x107 |
Sample 5A |
2.69456 x107 |
Sample 5B |
2.63677 x107 |
Sample 6A |
2.51801 x107 |
Sample 6B |
2.37522 x107 |
The calibration curve from which the sample concentrations were interpolated had a correlation of 0.999 and the following formula:
y = -2.26 x 107x2+ 5.60 x 107x + 1.14 x105
The concentration (g/L) of test item in the sample solutions is shown in the following tables:
Table 5 Anionic Component
Sample Number |
Time Shaken at ~ 30 ºC (hours) |
Concentration (g/L) |
Solution pH |
1 |
24 |
<1.02 x 10-4 |
3.9 |
2 |
48 |
<1.02 x 10-4 |
3.9 |
3 |
72 |
<1.02 x 10-4 |
3.8 |
Mean anionic component concentration: less than 1.02 x 10-4g/L at 20.0 ± 0.5 ºC
Table 6 Cationic Component
Sample Number |
Time Shaken at ~ 30 ºC (hours) |
Concentration (g/L) |
Solution pH |
1 |
24 |
3.85 x 10-2 |
3.9 |
2 |
48 |
5.16 x 10-2 |
3.9 |
3 |
72 |
6.32 x 10-2 |
3.8 |
4 |
96 |
7.36 x 10-2 |
3.4 |
5 |
120 |
9.56 x 10-2 |
3.4 |
6 |
144 |
8.43 x 10-2 |
3.4 |
Mean cationic component concentration (Samples 4 to 6): 8.45 x 10-2g/L at 20.0 ± 0.5 ºC
Discussion
On completion of the equlibration period, the samples were clear and colourless liquids with excess test item present. After filtration, the filtrates were visually observed to be clear, colourless liquids free from un-dissolved test item and had no definitive Tyndall beam effect.
The test item was a salt comprised of an inorganic anion and an organic cation. The water solubility was determined for both of these components using positive mode on the mass spectrometer for the cation and negative mode for the anion.
As the water solubility was determined during the preliminary test to be above 10-2g/L for the cationic component, the flask shaking test was performed even though the anionic component had a preliminary solubility of below 10-2g/L. However, as the anionic component was inorganic, the column elution method would not have been appropriate.
The preliminary result for the cationic component was reported as a limit value as it was beyond the calibration range.
The results for the anionic component were reported on limit values based on the lowest standard used for calibration as no definitive peak for the component was detected in the samples.
As the results for Samples 1 to 3 appeared to be increasing as shaking time increased, it was decided to utilise the test guideline option of increased shaking time. An increased loading rate was used for Samples 4 to 6 to cover the expected higher concentration and because the result for Sample 3 was approaching the loading rate used.
The results for Samples 4 to 6 were within ± 15 % of the mean, thus satisfying the criteria specified in the guidelines.
Description of key information
Cationic component: 8.45 x 10-2g/L at 20.0 ± 0.5 ºC ; Anionic component: less than 1.02 x 10-4g/L at 20.0 ± 0.5 ºC; OECD 105; Fox J M (2019)
Key value for chemical safety assessment
Additional information
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