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EC number: 293-766-2 | CAS number: 91082-52-9
- 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 start date: 12 January 2016, Experimental completion date: 16 February 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995 (Flask method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- Commission Regulation (EC) No 440/2008, dated May 30, 2008
- Deviations:
- no
- GLP compliance:
- no
- Remarks:
- However, the study was performed in a test facility which has been certified to be in compliance with the principles of GLP.
- Type of method:
- flask method
- Water solubility:
- >= 501 g/L
- Temp.:
- 20 °C
- pH:
- 9.4
- Remarks on result:
- other: At this highest concentration used a light straw coloured solution, free from excess, undissolved test item resulted. Temperature ± 0.5 °C
- Details on results:
- Preliminary Estimation of Solubility
The actual concentrations, observations recorded and solution pH’s following equilibration of the preliminary estimation samples at 20.0 °C are shown in Table 3. The results indicated a solubility of at least 100 g/L of solution at 20.0 °C.
Definitive Visual Evaluation
The actual concentrations, observations recorded and solution pH’s following equilibration of the definitive visual evaluation samples at 20.0 °C are shown in Table 4. The results indicated a solubility of greater than 500 g/L of solution at 20.0 °C. - Conclusions:
- In a valid, reliable and conclusive study according to OECD TG 105 and Method A.6 (EC) No 440/2008, the water solubility of the test item was ≥ 501 g/L at 20 °C ± 0.5 °C.
- Executive summary:
The water solubility of the test item was investigated in a non-GLP study using the flask method according to the OECD TG 105 (1995) and EU A.6 (Commission Regulation (EC) No 440/2008) protocols. The experiment is considered relevant, adequate and conclusive.
Based on the results from the preliminary estimation of solubility, mixtures of test item and high purity water of nominal 100, 200, 300, 400 as well as 500 g/L were prepared to evaluate these concentrations by visual inspection using an initial saturation period of 30 °C, as presented in the regulatory methods. After addition of the test item and high purity water to the flasks, they were shaken at 30 °C for a saturation period of 72 hours, the maximum time evaluated in the standard regulatory methods. After re-equilibration at 20.0 °C for a period of 24 hours, with occasional shaking by hand, the contents of the flasks were then visually observed for successful dissolution and the solution pH was recorded.
The contribution of individual components to the test item’s composition, as well as literature values of their dissociation constants have been evaluated. Based on recommendations provided by ECHA for the evaluation of the water solubility of mixtures (Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.7a: Endpoint specific guidance, July 2015), the preliminary assessment of water solubility included the nominal loading rates of 100 mg/L and 1000 mg/L (equivalent to 0.100 g/L and 1.00 g/L). There was no evidence of loading rate dependent solubility characteristics at these two loading rates, with complete dissolution achieved for both relevant samples. Further samples were therefore prepared at higher nominal loading rates to provide an initial estimate of the saturation concentration of solubility for the test item. Aqueous sample solutions of test item up to a concentration of 100 g/L were identified as being readily soluble/miscible when mixed at ambient laboratory temperature and then equilibrated to 20.0 °C. When applying an initial saturation period at an elevated temperature, as instructed by the previously referenced regulatory methods, and then re-equilibrating at 20.0 °C, successful dissolution was achieved at a nominal concentration of 501 g/L. Based on the magnitude of solubility observed for the test item and the absence of any excess undissolved material in the definitive visual evaluation samples, the analysis of the sample solutions was considered inconsequential. On review of the dissociation constant information and the sample solution pH values sample, solutions at the higher concentrations evaluated represented the unionized, molecular form of the test item. As such, solubility would theoretically increase, due to ionization of the test item components, as the solution pH decreased into the environmentally relevant pH range of 5 to 9. As significant solubility had already been demonstrated for the molecular form, additional sample preparation was not considered necessary or relevant.
In conclusion the water solubility of the test substance was ≥ 501 g/L at 20 °C ± 0.5 °C.
Reference
Table 1: Preliminary Estimation of Solubility – Sample Preparation
Sample Identity |
Nominal Concentration [g/L] |
Mass of Test Item [g] |
Final Dilution Volume with High Purity Water [mL] |
Actual Concentration [g/L] [1] |
1 |
0.100 |
0.1027[2] |
1000 |
0.103 |
2 |
1.00 |
0.2511 |
250 |
1.00 |
3 |
10 |
1.0000 |
100 |
10.0 |
4 |
100 |
2.5002 |
25 |
100 |
5 |
250 |
6.2537 |
25 |
250 |
6 |
500 |
12.5013 |
25 |
500 |
[1]Based on the total combined volume of the test item and water, using a test item density value of 0.934 g/cm³ and a water density value of 1.000 g/cm³.
[2] Dispensed as 110 µL of test item, and the weight calculated using a density value of 0.934 g/cm³, as the mass of the flask was too high for balances of the required accuracy.
Table 2: Visual Evaluation – Sample Preparation
Sample Identity |
Nominal Concentration [g/L] |
Mass of Test Item [g] |
Mass of High Purity Water [g] |
Actual Concentration [g/L][1] |
7 |
100 |
2.0110 |
17.8562 |
101 |
8 |
200 |
4.0146 |
15.7290 |
200 |
9 |
250 |
4.9992 |
14.6387 |
250 |
10 |
300 |
6.0037 |
13.6008 |
300 |
11 |
400 |
8.0038 |
11.4485 |
400 |
12 |
500 |
10.0122 |
9.2844 |
501 |
[1] Based on the total combined volume of the test item and water, using a test item density value of 0.934 g/cm³ and a water density value of 1.000 g/cm³.
Table 3: Preliminary Estimation of Solubility – Observations and Solution pH Values
Sample Identity |
Actual Concentration [g/L] |
Observations |
Solution pH |
1 |
0.103 |
A clear, colourless solution, free from excess, undissolved test item. |
7.4 |
2 |
1.00 |
A clear, colourless solution, free from excess, undissolved test item. |
8.6 |
3 |
10.0 |
A clear, colourless solution, free from excess, undissolved test item. |
9.5 |
4 |
100 |
A pale straw coloured solution, free from excess, undissolved test item. |
10.0 |
5 |
250 |
A straw coloured solution, containing a slight excess of undissolved test item. |
9.8 |
6 |
500 |
A straw coloured solution, containing a slight excess of undissolved test item. |
10.1 |
Table 4: Visual Evaluation – Observations and Solution pH Values
Sample Identity |
Actual Concentration [g/L] |
Observations |
Solution pH |
7 |
101 |
A light straw coloured solution, free from excess, undissolved test item. |
9.5 |
8 |
200 |
A light straw coloured solution, free from excess, undissolved test item. |
9.6 |
9 |
250 |
A light straw coloured solution, free from excess, undissolved test item. |
9.6 |
10 |
300 |
A light straw coloured solution, free from excess, undissolved test item. |
9.7 |
11 |
400 |
A light straw coloured solution, free from excess, undissolved test item. |
9.5 |
12 |
501 |
A light straw coloured solution, free from excess, undissolved test item. |
9.4 |
Description of key information
In a valid, reliable and conclusive study according to OECD TG 105 and Method A.6 (EC) No 440/2008, the water solubility of the test item was ≥501 g/L at 20 °C ± 0.5 °C.
Key value for chemical safety assessment
Additional information
The UVCB substance is a complex mixture mainly of dimethyl- and methylpyridines. The water solubility of the substance was determined to be at least 501 g/L at 20 °C and pH 9.4. The value of 501 g/L at 20 °C will be used in the chemical safety assessment of the substance.
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