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EC number: 253-604-3 | CAS number: 37673-37-3
- 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:
- From January 07, 2015 to March 20, 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- not specified
- Type of method:
- column elution method
- Specific details on test material used for the study:
- Batch no.: 192955/01
Appearance: liquid - Key result
- Water solubility:
- >= 0.009 - <= 0.014 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 57.2 other: mg test substance
- Temp.:
- 20 °C
- pH:
- 6.3
- Remarks on result:
- other: first experiment: flow of 25.0 mL/h
- Key result
- Water solubility:
- 0.002 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 51.3 other: mg test substance
- Temp.:
- 20 °C
- pH:
- 6.3
- Remarks on result:
- other: second experiment: flow of 12.5 mL/h
- Details on results:
- - At a flow rate of 25 mL/h, the solubilities determined in fractions 7 and 8 were clearly identified as outlier. According to OECD Guideline 105, values from at least five consecutive runs should be taken for evaluation. Therefore, the solubilities determined for fractions 7 and 8 were eliminated. Thus, these values were also eliminated for a flow rate of 12.5 mL/h.
- The remaining values led to a solubility in the range of 9.0 - 14.0 µg/L (mean value 11.5 µg/L) at a flow rate of 25.0 mL/h and to a solubility of 2.0 µg/L at a flow rate of 12.5 mL/h. The overall mean value was 6.8 µg/L. Contrary to the requirements of OECD Guideline 105, the determined concentrations differed more than 30%. This is, however, due to the very low concentration of the test substance. Therefore, a larger difference is also considered acceptable.
The water solubility of the test substance = 2.0 - 14.0 µg/L (formal mean value 6.7 µg/L) at 20°C and pH value of 6.3.
Working range
The calibration curve fits over the working range from 0.6 to 140.8 µg/L (related to 20 mL of water) with r2 = 0.999. A linear fit was used.
Recovery
In the course of the recovery experiment, an average recovery rate of 111% was determined. - Conclusions:
- Under the study conditions, the water solubility of the test substance was determined to be in the range of 2.0E-03 to 1.4E-02 mg/L at 20°C (mean value 6.7E-3 mg/L).
- Executive summary:
A study was conducted to determine the water solubility of the test substance according to OECD Guideline 105. In the preliminary test, the water solubility of the test substance was 10-2 g/L. Therefore, the column elution method was chosen for the main study. A total of 16 aliquots were analyzed by GC-MS at flow rates of 25.0 and 12.5 mL/h. The amounts of test substance used for the first and the second experiment were 57.2 and 51.3 mg, respectively. At a flow rate of 25 mL/h the vwater solubility values were in the range of 9.0E-03 to 1.4E-02 mg/L and at a flow rate of 12.5 mL/h the value was 2.0E-03 mg/L.The overall mean value was 6.7E-03 mg/L. Under the study conditions, the water solubility of the test substance was determined to be in the range of 2.0E-03 - 1.4E-02 mg/L (mean value 6.7E-03 mg/L) at 20°C (Seiler, 2015).
Reference
Table 1: Quantitative determination of the analytes
Flow rate (mL/h) |
Fraction No. |
Volume of combined fractions (mL) |
IS [µg/L] |
Solubility of test substance [µg/L] |
25.0 |
1 (1-2) |
20 |
2.10 |
12.5 |
2 (3-4) |
20 |
2.10 |
13.5 |
|
3 (5-6) |
20 |
2.10 |
14.0 |
|
4 (7-8) |
20 |
2.10 |
9.0 |
|
5 (9-10) |
20 |
2.10 |
9.5 |
|
6(11-12) |
20 |
2.10 |
10.5 |
|
7 (13-14) |
20 |
2.10 |
<0.5 |
|
8 (15-16) |
20 |
2.10 |
2.0 |
|
|
|
|
|
|
12.5 |
1 (1-2) |
20 |
2.10 |
2.0 |
2 (3-4) |
20 |
2.10 |
2.0 |
|
3 (5-6) |
20 |
2.10 |
2.0 |
|
4 (7-8) |
20 |
2.10 |
2.0 |
|
5(9-10) |
20 |
2.10 |
2.0 |
|
6(11-12) |
20 |
2.10 |
2.0 |
|
7 (13-14) |
20 |
2.10 |
2.0 |
|
8 (15-16) |
20 |
2.10 |
2.0 |
Description of key information
The water solubility was determined according to OECD Guideline 105 (Seiler, 2015)
Key value for chemical safety assessment
- Water solubility:
- 0.007 mg/L
- at the temperature of:
- 20 °C
Additional information
Water solubility range: 2.0E-03 to 1.4E-02 mg/L (mean value 6.7E-03 mg/L)
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