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EC number: 617-769-9 | CAS number: 858956-08-8
- 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:
- 2007-07-16 to 2007-08-22
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Food and Consumer Product Safety Authority (WMA), Den Haag, The Netherlands / National GLP Compliance Monitoring Authority, New Delhi, India
- Type of method:
- flask method
- Key result
- Water solubility:
- 2.81 g/L
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- >= 3.34 - <= 3.37
- Remarks on result:
- other: Solubility in Milli-Q® Water
- Key result
- Water solubility:
- 3.13 g/L
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- >= 3.63 - <= 3.71
- Remarks on result:
- other: Solubility in pH 4 aqueous buffer solution
- Key result
- Water solubility:
- 4.2 g/L
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- >= 4.36 - <= 4.37
- Remarks on result:
- other: Solubility in pH 7 aqueous buffer solution
- Key result
- Water solubility:
- 3.87 g/L
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- >= 4.29 - <= 4.33
- Remarks on result:
- other: Solubility in pH 9 aqueous buffer solution
- Details on results:
- Measured pH values are lower than the nominal buffer pH. However, the obtained results show that the water solubility of the substance is pH-dependent: the lower the pH, the lower the water solubilty.
- Conclusions:
- The water solubility at 20 °C of the substance was determined using Milli-Q water and three aqueous buffer solutions (OECD Guideline 105, flask method):
2.81 g/L (Milli-Q water; measured pH: 3.34-3.37)
3.13 g/L (pH4 aqueous buffer solution; measured pH: 3.36-3.71)
4.2 g/L (pH7 aqueous buffer solution; measured pH: 4.36-4.37)
3.87 g/L (pH9 aqueous buffer solution; measured pH: 4.29-4.33)
Reference
Preliminary Test
The estimated solubility of test item in Milli-Q® water, and buffer solutions of pH 4, 7, and 9 was determined in the preliminary test. It was observed that the test item is found soluble in Milli-Q® water and buffer solution of pH 7, after making up to 100 mL.
The test item solutions in buffer solutions of pH 4 and 9 were found soluble after 24 hours. The preliminary solubility of the test item in all the media (Milli-Q® water, buffer solutions of pH 4, 7, and 9) was less than 0.01 g/L.
Main test
The results from the main test are presented in in the following table.
Media |
Interval (Hrs.) |
Water solubility (g/L) at 20 °C |
|||
R1 |
R2 |
R3 |
Mean ± S.D. |
||
Milli-Q® Water |
24 |
2.97 |
2.94 |
2.88 |
2.93 ± 0.04 |
48 |
2.71 |
2.82 |
2.70 |
2.74 ± 0.06 |
|
72 |
2.77 |
2.78 |
2.77 |
2.77 ± 0.01 |
|
|
|
Mean ± S.D. |
2.81 ± 0.10 |
||
pH 4 Buffer Solution |
24 |
3.15 |
3.15 |
3.13 |
3.14 ± 0.01 |
48 |
2.86 |
2.90 |
2.86 |
2.87 ± 0.02 |
|
72 |
3.39 |
3.39 |
3.39 |
3.39 ± 0.01 |
|
|
|
Mean ± S.D. |
3.13 ± 0.26 |
||
pH 7 Buffer Solution |
24 |
4.12 |
4.11 |
4.12 |
4.11 ± 0.01 |
48 |
4.16 |
4.14 |
4.11 |
4.13 ± 0.02 |
|
72 |
4.35 |
4.36 |
4.37 |
4.36 ± 0.02 |
|
|
|
Mean ± S.D. |
4.20 ± 0.14 |
||
pH 9 Buffer Solution |
24 |
3.67 |
3.67 |
3.69 |
3.68 ± 0.01 |
48 |
4.01 |
4.00 |
4.00 |
4.00 ± 0.02 |
|
72 |
3.92 |
3.93 |
3.94 |
3.93 ± 0.01 |
|
|
|
Mean ± S.D. |
3.87 ± 0.17 |
The results showed that the saturation of the test item in the water was achieved in the third sample (72 hours).
The mean value of water solubility was calculated based on the three samples. The variation between the last two samples was lower than the maximum allowed difference of 15% as based on the guidelines. These parameters clearly demonstrate the validity of the test conducted and the results obtained.
The result showed that overall mean value for water solubility of test item in Milli-Q® water, buffer solutions of pH 4, 7, and 9 were 2.81 ± 0.1, 3.13 ± 0.26, 4.20 ± 0.14 and 3.87 ± 0.17 g/L respectively at 20 °C.
The pH values for the test samples were determined on each sampling day. The details of pH values were presented in the following table.
Media |
Milli-Q® Water |
Buffer Solution |
Buffer Solution |
Buffer Solution |
||||||||
Interval (Hrs.) |
24 |
48 |
72 |
24 |
48 |
72 |
24 |
48 |
72 |
24 |
48 |
72 |
R1 |
3.31 |
3.35 |
3.35 |
3.66 |
3.68 |
3.68 |
4.40 |
4.32 |
4.31 |
4.26 |
4.31 |
4.30 |
R2 |
3.33 |
3.38 |
3.32 |
3.60 |
3.73 |
3.70 |
4.32 |
4.38 |
4.39 |
4.24 |
4.25 |
4.28 |
R3 |
3.37 |
3.39 |
3.38 |
3.63 |
3.71 |
3.69 |
4.38 |
4.36 |
4.37 |
4.39 |
4.30 |
4.31 |
Mean |
3.34 |
3.37 |
3.35 |
3.63 |
3.71 |
3.69 |
4.37 |
4.36 |
4.36 |
4.33 |
4.29 |
4.30 |
Description of key information
Solubility in Milli-Q® Water: 2.81 g/L at 20 °C and pH 3.34-3.37
Solubility in pH 4 aqueous buffer solution: 3.13 g/L at 20 °C and pH 3.63-3.71
Solubility in pH 7 aqueous buffer solution: 4.2 g/L at 20 °C and pH 4.36-4.37
Solubility in pH 9 aqueous buffer solution: 3.87 g/L at 20 °C and pH 4.29-4.33
(OECD Guideline 105, flask method)
Key value for chemical safety assessment
- Water solubility:
- 4.2 g/L
- at the temperature of:
- 20 °C
Additional information
The highest measured water solubility is selected as key information for CSA.
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