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EC number: 605-495-2 | CAS number: 167948-98-3
- 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:
- 22.08. - 06.09.02
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- column elution method
- Key result
- Water solubility:
- 1.9 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- > 5.9 - < 6.7
- Details on results:
- Result run1:
Evaluation of the fractions 9 to 16. The water solubility was found to be 1.78 mg/L.
Result run 2:
Evaluation of the fractions 21 to 26. The water solubility was found to be 1.97 mg/L - Conclusions:
- The water solubility of the test substance at a temperature of 20 °C was determined to be 1.9 mg/L.
- Executive summary:
The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis. In a preliminary test increasing water amounts were added stepwise to about 100 mg of the test substance. After undissolved increasing water amounts were added to about 10 mg of the test substance. The water solubility of the test substance was less than 10 mg/L and had to be determined using the column elution method. 0.08971 g of the test substance were dissolved in 25 mL acetonitrile. 10 mL of this solution were added to about 3 g of sea-shore sand and the mixture was shaken. The solvent was then removed under reduced pressure using a rotary evaporator. Two identical samples were prepared; one of them was exposed to a flow rate of 12.5 mL/h, the other one to 25 mL/h. After measurement of volume, pH and temperature, the selected fractions were directly subjected to HPLC analysis. The water solubility of the test substance at a temperature of 20°C and pH=6 was determined (average over both runs) to be 1.9 mg/L.
Reference
Individual Results
Preliminary Visual Estimation of the Water Solubility
Increasing water amounts were added stepwise to about 100 mg of the test substance.
Appearance of the test mixtures
Amount of the test item in mg |
Total volume in mL |
Appearance of mixture |
101.35 |
0.1 |
undissolved |
0.5 |
undissolved |
|
1 |
undissolved |
|
2 |
undissolved |
|
10 |
undissolved |
|
100 |
undissolved |
Increasing water amounts were added to about 10 mg of the test substance.
Appearance of the test mixtures
Amount of the test item in mg |
Total volume in mL |
Appearance of mixture |
10.84 |
100 |
undissolved |
10.03 |
500 |
undissolved |
I 10.41 |
1000 |
undissolved| |
The solution was stirred for 21 hours.
The preliminary visual experiments showed that the water solubility of the test substance is lower than 10 mg/L. Therefore the water solubility had to be determined by the column-elution method.
Column-Elution Method
Run 1:
Rotation period of the fraction accumulator: 90 min per fraction
Average fraction volume: between 10.2 mL/h and 10.5 mL/h
Flow rate: 45 min per fraction 15.5 mL
Duration of sampling: about 24 h (16 fractions)
Run 2:
Rotation period of the fraction accumulator: 45 min per fraction
Average fraction volume: 14.2 mL
Flow rate: between 17.3 mL/h and 21.3 mL/h
Duration of sampling: about 24 h (32 fractions)
Run 3 (blank):
Rotation period of the fraction accumulator:
Average fraction volume: between 18.0 mL/h and 21.1 mL/h
Flow rate: 14.7 mL
Duration of sampling: about 24 h (32 fractions)
Concentration and pH
Column-elution method: Run 1
Fraction No, |
V |
PH |
Measurement |
Water Solubility |
|
in mL |
|
in mg/L |
in mg/L |
9 |
15.5 |
6.0 |
0.84 |
1.67 |
10 |
15.5 |
6.0 |
0.87 |
1.74 |
11 |
15.3 |
6.0 |
0.89 |
1.79 |
12 |
15.3 |
6.0 |
0.88 |
1.75 |
13 |
15.5 |
5.9 |
0.90 |
1.80 |
14 |
15.5 |
5.9 |
0.95 |
1.90 |
15 |
15.7 |
6.0 |
0.92 |
1.83 |
16 |
15.5 |
6.0 |
0.88 |
1.76 |
Column-elution method; Run 2
Fraction No. |
V in mL |
PH |
Measurement |
Water Solubility |
21 |
14.0 |
6.7 |
0.98 |
1.96 |
22 |
13.5 |
6.6 |
1.00 |
2.01 |
23 |
13.0 |
6.6 |
1.01 |
2.03 |
24 |
13.5 |
6.4 |
1.00 |
2.00 |
25 |
13.0 |
6.4 |
0.93 |
1.87 |
26 |
13.0 |
6.4 |
0.97 |
1.93 |
Column-elution method: Run 3 (blank)
Fraction No. |
V |
PH |
Measurement |
Water Solubility I |
|
in mL |
|
in mg/L |
in mg/L |
21 |
14.3 |
6.3 |
<0.2 |
<0.4 |
22 |
14.3 |
6.1 |
<0.2 |
<0.4 |
23 |
14.0 |
6.3 |
<0.2 |
<0.4 |
24 |
14.0 |
6.2 |
<0.2 |
<0.4 |
25 |
13.5 |
6.2 |
<0.2 |
<0.4 |
26 |
13.5 |
6.1 |
<0.2 |
<0.4 |
According to the guideline, the data of the fractions 1 to 5 were not taken into account for the following evaluation. The values for the water solubility were calculated from the fractions 9 to 16 for column 1, from fractions 21 to 26 for column 2 and 3. Fractions 6 to 8 for column 1 and fractions 7 to 20 and 27 to 32 for column 2 and column 3 were discarded.
Result run1:
Evaluation of the fractions 9 to 16. The water solubility was found to be 1.78 mg/L.
Result run 2:
Evaluation of the fractions 21 to 26. The water solubility was found to be 1.97 mg/L
Description of key information
The water solubility of the test substance at a temperature of 20 °C was determined to be 1.9 mg/L (reference 4.8 -1).
Key value for chemical safety assessment
- Water solubility:
- 1.9 mg/L
- at the temperature of:
- 20 °C
Additional information
The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis. In a preliminary test increasing water amounts were added stepwise to about 100 mg of the test substance. After undissolved increasing water amounts were added to about 10 mg of the test substance. The water solubility of the test substance was less than 10 mg/L and had to be determined using the column elution method. 0.08971 g of the test substance were dissolved in 25 mL acetonitrile. 10 mL of this solution were added to about 3 g of sea-shore sand and the mixture was shaken. The solvent was then removed under reduced pressure using a rotary evaporator. Two identical samples were prepared; one of them was exposed to a flow rate of 12.5 mL/h, the other one to 25 mL/h. After measurement of volume, pH and temperature, the selected fractions were directly subjected to HPLC analysis. The water solubility of the test substance at a temperature of 20°C and pH=6 was determined (average over both runs) to be 1.9 mg/L.
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