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EC number: 632-619-2 | CAS number: 881685-58-1
- 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
Solubility in organic solvents / fat solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- solubility in organic solvents / fat solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 17 Jun 2008 to 28 Jun 2008
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: MT 157.3 “Flask Method” (Solubility above 10-2 g/L)
- Version / remarks:
- 1995
- GLP compliance:
- yes (incl. QA statement)
- Medium:
- acetone
- Solubility:
- 313.57 g/L
- Temp.:
- 25 °C
- Medium:
- other: dichloromethane
- Solubility:
- 330.16 g/L
- Temp.:
- 25 °C
- Medium:
- ethyl acetate
- Solubility:
- 178.85 g/L
- Temp.:
- 25 °C
- Key result
- Medium:
- other: hexane
- Solubility:
- 1.17 g/L
- Temp.:
- 25 °C
- Medium:
- methanol
- Solubility:
- 119.13 g/L
- Temp.:
- 25 °C
- Medium:
- n-octanol
- Solubility:
- 44.13 g/L
- Temp.:
- 25 °C
- Medium:
- toluene
- Solubility:
- 77.13 g/L
- Temp.:
- 25 °C
- Test substance stable:
- yes
- Conclusions:
- The solubility in seven organic solvents was found to range from 1.17 g/L in hexane to 330.16 g/L in dichloromethane.
- Executive summary:
The solubility of test substance was determined in seven organic solvents according to CIPAC MT 157.3 (flask method) in compliance with GLP. The solubility in seven organic solvents was found to range from 1.17 g/L in hexane to 330.16 g/L in dichloromethane.
Reference
Results
A saturated solution of the test item in each solvent (acetone, dichloromethane, ethyl acetate, hexane, methanol, octanol and toluene, respectively) was prepared by shaking a mixture of test item and solvent at 25 °C for 24 hours and 48 hours, respectively. The solutions were centrifuged, filtered and diluted.
The results of the individual measurements are given in Table 1 to Table 4 below.
To prove the suitability of the test system, seven solutions were prepared at a concentration near to the concentration of the sample solutions. These solutions were injected five times as SST. The relative standard deviations obtained were with less than 2.4 % below the limit of 5 %. The HPLC system was therefore considered to be suitable.
Table 1. Solubility in acetone and dichloromethane
Samp le No. |
Weighed sample of the test item |
Shaking time at 25 °C |
Concen- tration analysed |
Dilutionfactor before quanti- fication |
Concen- tration calculated |
Solubility calculated (rounded) |
[g] |
[hours] |
[mg/L] |
[g/L] |
[g/L] |
||
Solvent: Acetone (5 mL) |
||||||
1 |
2.01264 |
48 |
320.93 |
1000 |
320.93 |
313.57 SD = 13.39 |
322.45 |
322.45 |
|||||
2 |
2.02813 |
48 |
321.17 |
321.17 |
||
324.14 |
324.14 |
|||||
3 |
2.00274 |
24 |
295.30 |
1000 |
295.30 |
|
297.45 |
297.45 |
|||||
4 |
2.00725 |
24 |
309.65 |
309.65 |
||
313.67 |
313.67 |
|||||
Solvent: Dichloromethane (5 mL) |
||||||
1 |
2.00720 |
48 |
327.87 |
1000 |
327.87 |
330.16 SD = 3.37 |
325.15 |
325.15 |
|||||
2 |
2.00828 |
48 |
328.94 |
328.94 |
||
332.97 |
332.97 |
|||||
3 |
2.03572 |
24 |
333.64 |
1000 |
333.64 |
|
332.39 |
332.39 |
|||||
4 |
2.02828 |
24 |
359.53 |
359.53 |
||
360.16 |
360.16 |
Table 2. Solubility in ethyl acetate and hexane
Samp le No. |
Weighed sample of the test item |
Shaking time at 25 °C |
Concen- tration analysed |
Dilutionfactor before quanti- fication |
Concen- tration calculated |
Solubility calculated (rounded) |
[g] |
[hours] |
[mg/L] |
[g/L] |
[g/L] |
||
Solvent: Ethyl Acetate (5 mL) |
||||||
1 |
2.01920 |
48 |
181.60 |
1000 |
181.60 |
178.85 SD = 8.14 |
182.09 |
182.09 |
|||||
2 |
2.04607 |
48 |
185.28 |
185.28 |
||
186.84 |
186.84 |
|||||
3 |
2.03918 |
24 |
168.39 |
1000 |
168.39 |
|
168.91 |
168.91 |
|||||
4 |
2.00253 |
24 |
173.97 |
173.97 |
||
176.31 |
176.31 |
|||||
Solvent: Hexane (5 mL) |
||||||
1 |
0.06866 |
48 |
115.41 |
10 |
1.15 |
1.17 SD = 0.05 |
115.89 |
1.16 |
|||||
2 |
0.07944 |
48 |
121.99 |
1.22 |
||
123.04 |
1.23 |
|||||
3 |
0.06404 |
24 |
111.97 |
10 |
1.12 |
|
111.61 |
1.12 |
|||||
4 |
0.06785 |
24 |
116.54 |
1.17 |
||
117.45 |
1.17 |
Table 3. Solubility in methanol and octanol
Samp le No. |
Weighed sample of the test item |
Shaking time at 25 °C |
Concen- tration analysed |
Dilutionfactor before quanti- fication |
Concen- tration calculated |
Solubility calculated (rounded) |
[g] |
[hours] |
[mg/L] |
[g/L] |
[g/L] |
||
Solvent: Methanol (5 mL) |
||||||
1 |
2.05359 |
48 |
120.43 |
1000 |
120.43 |
119.13 SD = 2.44 |
123.25 |
123.25 |
|||||
2 |
2.01326 |
48 |
118.71 |
118.71 |
||
117.78 |
117.78 |
|||||
3 |
2.04955 |
24 |
232.38 |
500 |
116.19 |
|
236.83 |
118.42 |
|||||
4 |
2.03238 |
24 |
233.00 |
116.50 |
||
231.34 |
115.67 |
|||||
Solvent: Octanol (5 mL) |
||||||
1 |
2.01731 |
48 |
44.29 |
1000 |
44.29 |
44.13 SD = 0.95 |
45.13 |
45.13 |
|||||
2 |
2.01196 |
48 |
43.19 |
43.19 |
||
42.76 |
42.76 |
|||||
3 |
2.01645 |
24 |
89.53 |
500 |
44.77 |
|
89.36 |
44.68 |
|||||
4 |
2.03845 |
24 |
92.77 |
46.38 |
||
93.77 |
46.88 |
Table 4. Solubility in toluene
Samp le No. |
Weighed sample of the test item |
Shaking time at 25 °C |
Concen- tration analysed |
Dilutionfactor before quanti- fication |
Concen- tration calculated |
Solubility calculated (rounded) |
[g] |
[hours] |
[mg/L] |
[g/L] |
[g/L] |
||
Solvent: Toluene (5 mL) |
||||||
1 |
2.04538 |
48 |
76.49 |
1000 |
76.49 |
77.13 SD = 1.14 |
76.79 |
76.79 |
|||||
2 |
2.04677 |
48 |
76.31 |
76.31 |
||
76.05 |
76.05 |
|||||
3 |
2.07045 |
24 |
157.03 |
500 |
78.52 |
|
157.27 |
78.64 |
|||||
4 |
2.01389 |
24 |
156.61 |
78.30 |
||
156.03 |
78.02 |
For the Tables above: the saturation mass concentration is calculated from the bold values given in the column “Concentration calculated”.
SD = standard deviation
Description of key information
Solubility: The solubility was found to range from 1.17 g/L in hexane to 330.16 g/L in dichloromethane. CIPAC MT 157.3, Flask shake method, Weissenfeld 2008
Key value for chemical safety assessment
- At the temperature of:
- 25 °C
- Solubility in organic solvents at 20°C:
- 1.17 g/L
Additional information
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