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EC number: 936-610-7 | 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:
- 24 April 2008 and 19 September 2008
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted in compliance with GLP and agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of relevant results.
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Date of Signature: 15/10/2007; Date of Inspection: 21/08/2007
- Type of method:
- flask method
- Water solubility:
- 3.49 g/L
- Conc. based on:
- other: Concentration of main constituent 1.
- Loading of aqueous phase:
- 5.01 g/L
- Temp.:
- 20 °C
- pH:
- > 7.3 - < 7.5
- Remarks on result:
- not determinable
- Remarks:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded.
- Water solubility:
- 4.26 g/L
- Conc. based on:
- other: Concentration of main constituent 1.
- Loading of aqueous phase:
- 10 g/L
- Temp.:
- 20 °C
- pH:
- > 7.3 - < 7.5
- Remarks on result:
- not determinable
- Remarks:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded.
- Water solubility:
- 6.02 g/L
- Conc. based on:
- other: Concentration of main constituent 1.
- Loading of aqueous phase:
- 20 g/L
- Temp.:
- 20 °C
- pH:
- > 7.3 - < 7.5
- Remarks on result:
- not determinable
- Remarks:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded.
- Water solubility:
- 7.28 g/L
- Conc. based on:
- other: Concentration of main constituent 1.
- Loading of aqueous phase:
- 30.2 g/L
- Temp.:
- 20 °C
- pH:
- > 7.3 - < 7.5
- Remarks on result:
- not determinable
- Remarks:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded.
- Water solubility:
- 7.74 g/L
- Conc. based on:
- other: Concentration of main constituent 1.
- Loading of aqueous phase:
- 31.4 g/L
- Temp.:
- 20 °C
- pH:
- > 7.3 - < 7.5
- Remarks on result:
- not determinable
- Remarks:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded.
- Water solubility:
- 11.6 g/L
- Conc. based on:
- other: Concentration of main constituent 1.
- Loading of aqueous phase:
- 50 g/L
- Temp.:
- 20 °C
- pH:
- > 7.3 - < 7.5
- Remarks on result:
- not determinable
- Remarks:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded.
- Water solubility:
- 20 g/L
- Conc. based on:
- other: Concentration of main constituent 1.
- Loading of aqueous phase:
- 101 g/L
- Temp.:
- 20 °C
- pH:
- > 7.3 - < 7.5
- Remarks on result:
- not determinable
- Remarks:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded.
- Water solubility:
- 0.161 g/L
- Conc. based on:
- other: Concentration of main constituent 2.
- Loading of aqueous phase:
- 5.01 g/L
- Temp.:
- 20 °C
- pH:
- > 7.3 - < 7.5
- Remarks on result:
- not determinable
- Remarks:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded.
- Key result
- Water solubility:
- 0.186 g/L
- Conc. based on:
- other: Concentration of main constituent 2.
- Loading of aqueous phase:
- 10 g/L
- Temp.:
- 20 °C
- pH:
- > 7.3 - < 7.5
- Remarks on result:
- not determinable
- Remarks:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded.
- Water solubility:
- 0.35 g/L
- Conc. based on:
- other: Concentration of main constituent 2.
- Loading of aqueous phase:
- 20 g/L
- Temp.:
- 20 °C
- pH:
- > 7.3 - < 7.5
- Remarks on result:
- not determinable
- Remarks:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded.
- Water solubility:
- 1.36 g/L
- Conc. based on:
- other: Concentration of main constituent 2.
- Loading of aqueous phase:
- 31.5 g/L
- Temp.:
- 20 °C
- pH:
- > 7.3 - < 7.5
- Remarks on result:
- not determinable
- Remarks:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded.
- Water solubility:
- 0.968 g/L
- Conc. based on:
- other: Concentration of main constituent 2.
- Loading of aqueous phase:
- 30.2 g/L
- Temp.:
- 20 °C
- pH:
- > 7.3 - < 7.5
- Remarks on result:
- not determinable
- Remarks:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded.
- Water solubility:
- 1.26 g/L
- Conc. based on:
- other: Concentration of main constituent 2.
- Loading of aqueous phase:
- 31.4 g/L
- Temp.:
- 20 °C
- pH:
- > 7.3 - < 7.5
- Remarks on result:
- not determinable
- Remarks:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded.
- Key result
- Water solubility:
- 5.13 g/L
- Conc. based on:
- other: Concentration of main constituent 2.
- Loading of aqueous phase:
- 50 g/L
- Temp.:
- 20 °C
- pH:
- > 7.3 - < 7.5
- Remarks on result:
- not determinable
- Remarks:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded.
- Water solubility:
- 7.1 g/L
- Conc. based on:
- other: Concentration of main constituent 2.
- Loading of aqueous phase:
- 101 g/L
- Temp.:
- 20 °C
- pH:
- > 7.3 - < 7.5
- Remarks on result:
- not determinable
- Remarks:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded.
- Details on results:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded. The concentration of the two main components of the test material at the various loading rates is shown below:
Loading Rate (g/l) 5.01, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 3.49 concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 0.161
Loading Rate (g/l) 10.0, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 4.26, concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 0.186
Loading Rate (g/l) 20.0, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 6.02, concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 0.350
Loading Rate (g/l) 31.5, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 7.28, concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 1.36
Loading Rate (g/l) 30.2, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 7.28, concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 0.968
Loading Rate (g/l) 31.4, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 7.74, concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 1.26
Loading Rate (g/l) 50.0, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 11.6, concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 5.13
Loading Rate (g/l) 101, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 20.0, concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 7.10. - Conclusions:
- The water solubility of the test material has been demonstrated to be related to the amount of test material loaded. The concentration of the two main components of the test material at the various loading rates is shown below:
Loading Rate (g/l) 5.01, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 3.49, concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 0.161;
Loading Rate (g/l) 10.0, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 4.26, concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 0.186;
Loading Rate (g/l) 20.0, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 6.02, concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 0.350;
Loading Rate (g/l) 31.5, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 7.28, concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 1.36;
Loading Rate (g/l) 30.2, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 7.28, concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 0.968;
Loading Rate (g/l) 31.4, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 7.74, concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 1.26;
Loading Rate (g/l) 50.0, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 11.6, concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 5.13;
Loading Rate (g/l) 101, concentration of Main constituent 1(g/l at 20.0 ± 0.5 °C) 20.0, concentration of Main constituent 2 (g/l at 20.0 ± 0.5 °C) 7.10. - Executive summary:
The water solubility of the test material was based on the flask method, Method A6 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC).
The water solubility of the test material has been demonstrated to be related to the amount of test material loaded. The concentration of the two main components of the test material at the various loading rates is shown in the following table:
Loading Rate (g/l)
Concentration of Main constituent 1
(g/l at 20.0 ± 0.5ºC)Concentration of Main constituent 2
(g/l at 20.0 ± 0.5ºC)5.01
3.49
0.161
10.0
4.26
0.186
20.0
6.02
0.350
31.5
7.28
1.36
30.2
7.28
0.968
31.4
7.74
1.26
50.0
11.6
5.13
101
20.0
7.10
Reference
Preliminary test
The preliminary estimate of water solubility is shown in the following table:
Sample Number |
Loading Rate (g/l) |
Concentration Main Constituent 1 Corrected for Recovery (g/l) |
Concentration Main Constituent 2 Corrected for Recovery (g/l) |
Solution pH |
A |
5.01 |
3.49 |
0.161 |
7.3 |
B |
10.0 |
4.26 |
0.186 |
7.2 |
C |
20.0 |
6.02 |
0.350 |
7.4 |
Concentration range: 3.49 to 6.02
g/l of Main Constituent 1
0.161 to 0.350 g/l of Main
Constituent 2
Definitive test
The mean peak areas relating to the standard and sample solutions are shown in the following table:
Solution |
Mean Area |
Mean Area |
Standard 51.6 mg/l |
262.245 |
405.191 |
Standard 54.2 mg/l |
246.595 |
438.948 |
Sample 1A |
311.620 |
42.789 |
Sample 1B |
309.676 |
42.563 |
Sample 2A |
311.354 |
30.642 |
Sample 2B |
310.145 |
30.268 |
Sample 3A |
338.791 |
39.832 |
Sample 3B |
321.835 |
39.550 |
Standard 50.0 mg/l |
283.199 |
510.038 |
Standard 50.1 mg/l |
283.903 |
510.701 |
Sample 4A |
292.891 |
103.441 |
Sample 4B |
291.843 |
103.334 |
Sample 5A |
252.309 |
71.880 |
Sample 5B |
250.054 |
71.084 |
The concentration (g/l) of the two components in the sample solutions is shown in the following table:
Sample Number |
Time Shaken at ~ 30ºC (hours) |
Time Equilibrated at 20ºC (hours) |
Concentration Main Constituent 1 (g/l) |
Concentration Main Constituent 2 (g/l) |
Solution pH |
1A |
24 |
117½ |
6.47 |
0.536 |
7.3 |
1B |
24 |
117½ |
6.43 |
0.533 |
|
2A |
48 |
117½ |
6.46 |
0.384 |
7.4 |
2B |
48 |
117½ |
6.44 |
0.379 |
|
3A |
72 |
117½ |
7.03 |
0.499 |
7.4 |
3B |
72 |
117½ |
6.68 |
0.496 |
|
4A |
24 |
24 |
10.3 |
2.03 |
7.5 |
4B |
24 |
24 |
10.3 |
2.03 |
|
5A |
24 |
24 |
17.8 |
2.82 |
7.5 |
5B |
24 |
24 |
17.6 |
2.79 |
The mean concentrations (g/l) of the two components in the samples corrected for recovery are shown in the following table:
Sample Number |
Loading Rate (g/l) |
Mean Concentration Main Constituent 1 |
Mean Concentration Main Constituent 1 Corrected for Recovery (g/l) |
Mean Concentration Main Constituent 2 |
Mean Concentration Main Constituent 2 Corrected for Recovery (g/l) |
1 |
31.5 |
6.45 |
7.28 |
0.535 |
1.36 |
2 |
30.2 |
6.45 |
7.28 |
0.382 |
0.968 |
3 |
31.4 |
6.86 |
7.74 |
0.498 |
1.26 |
4 |
50.0 |
10.3 |
11.6 |
2.03 |
5.13 |
5 |
101 |
17.7 |
20.0 |
2.80 |
7.10 |
Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 250 mg/l. This was satisfactory with correlation coefficients of 0.998 and 1.00 being obtained for main constituent 1 and 2 components respectively.
Procedural recovery determinations were performed and are shown in the following table:
Component |
Nominal Concentration |
Recovery |
Mean Recovery |
Main Constituent 1 |
50 |
84.4 to 93.9 |
88.6 |
Main Constituent 2 |
50 |
36.7 to 41.6 |
39.5 |
Since the sample solution was colloidal, centrifugation and filtration were necessary to provide a clear solution for analysis. The low recovery of main constituent 2 component was thought to be due to loss on filtration. As the recovery analysis was demonstrated to be consistent, it was deemed to be acceptable to correct the water solubility data for recovery. Therefore, the sample analysis procedure was considered to be adequate for test.
Description of key information
Soluble (solubility of the test material is dependent on loading rate); at a Loading Rate of 5.01 g/L, concentration of main constituent 1 = 3.49 g/L at 20.0 ± 0.5 °C and concentration of main constituent 2 = 0.161 g/L at 20.0 ± 0.5 °C; at a Loading Rate of 101 g/L, concentration of main constituent 1 = 20.0 g/L at 20.0 ± 0.5 °C and concentration of main constituent 2 = 7.10 g/L at 20.0 ± 0.5 °C, EU Method A.6, Butler & White (2008).
Key value for chemical safety assessment
- Water solubility:
- 27.1 g/L
- at the temperature of:
- 20 °C
Additional information
The water solubility of the test material was determined in the key study (Butler & White 2008), which was performed in accordance with EU Method A.6 using the flask method. The study was performed under GLP conditions. The data was assigned a reliability score of 1 in accordance with the principles for assessing data quality as defined in Klimisch et al. (1997).
The water solubility was found to be related to the loading rate of the test material. The concentrations of the two main constituents of the multi-constituent substance at various loading rates are reported below:
Loading Rate 5.01 g/L: concentration of main constituent 1 = 3.49 g/L at 20.0 ± 0.5 °C and concentration of main constituent 2 = 0.161 g/L at 20.0 ± 0.5 °C;
Loading Rate 10.0 g/L: concentration of main constituent 1 = 4.26 g/L at 20.0 ± 0.5 °C and concentration of main constituent 2 = 0.186 g/L at 20.0 ± 0.5 °C;
Loading Rate 20.0 g/L: concentration of main constituent 1 = 6.02 g/L at 20.0 ± 0.5 °C and concentration of main constituent 2 = 0.350 g/L at 20.0 ± 0.5 °C;
Loading Rate 31.5 g/L: concentration of main constituent 1 = 7.28 g/L at 20.0 ± 0.5 °C and concentration of main constituent 2 = 1.36 g/L at 20.0 ± 0.5 °C;
Loading Rate 30.2 g/L: concentration of main constituent 1 = 7.28 g/L at 20.0 ± 0.5 °C and concentration of main constituent 2 = 0.968 g/L at 20.0 ± 0.5 °C;
Loading Rate 31.4g/L: concentration of main constituent 1 = 7.74 g/L at 20.0 ± 0.5 °C and concentration of main constituent 2 = 1.26 g/L at 20.0 ± 0.5 °C;
Loading Rate 50.0 g/L: concentration of main constituent 1 = 11.6 g/L at 20.0 ± 0.5 °C and concentration of main constituent 2 = 5.13 g/L at 20.0 ± 0.5 °C;
Loading Rate 101 g/L: concentration of main constituent 1 = 20.0 g/L at 20.0 ± 0.5 °C and concentration of main constituent 2 = 7.10 g/L at 20.0 ± 0.5 °C.
An overall water solubility of 27.1 g/l (sum of two components [1: 20 g/L, 2: 7.1 g/L]) has been used as the key value for chemical safety assessment. This represents the maximum measured solubility at the loading rate of 101 g/L.
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