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EC number: 213-584-9 | CAS number: 989-38-8
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 0.1
- Temp.:
- 24 °C
- pH:
- >= 3.9 - <= 4.4
- Conclusions:
- The log Pow of the test item Basic Red 1 was determined to be 0.1 ± < 0.1 at 24 °C (pH 3.9 - 4.4).
- Executive summary:
The partition coefficient of the test item was determined by to the shake-flask-method according to the OECD Test Guideline 107 (1995) and EU Method A.8. The log Pow of the test item Basic Red 1 was determined to be 0.1 ± < 0.1 at 24 °C (pH 3.9 - 4.4).
Reference
Preliminary Test:
The preliminary test at room temperature showed, that the octanol solubility of the test item was in the range of 5.7 g/L and 17 g/L. The observations of the preliminary test are summarized in Table 3.
Table 3: Preliminary test for the octanol solubility
Amount of test item [g] |
Total volume of added octanol [mL] |
Stirring time at RT [min] |
Remark |
0.17 |
10 |
35 |
Not dissolved |
30 |
45 |
dissolved |
With the water solubility of 28.8 to 64.9 g/L, estimated in the preliminary test of study no. CSL-18-0300.04, and the solubility in octanol of 5.7 to 17 g/L, estimated from this preliminary test, the partition coefficient can be estimated to be between -0.2 and -1.1. For the determination of the log Pow in this range the shake flask method is recommended.
Main Test
The phases of the shake-flask-method were measured twice by means of HPLC. The results of these measurements are summarized in Table 4 and Table 5.
The values represented in the table are rounded values. The calculation was carried out with the original not rounded values.
Table 4: Concentrations in the aqueous phases
Separating funnel |
pH values*1 |
Measured concentrations (g/L) |
Mean concentrations*2 (mg/L) |
1a |
4.4 |
0.37/ 0.38 |
1.50 |
1b |
4.2 |
0.38/ 0.38 |
1.53 |
2a |
4.2 |
0.27/ 0.27 |
1.09 |
2b |
4.2 |
0.27/ 0.27 |
1.09 |
3a |
3.9 |
0.36/ 0.35 |
1.41 |
3b |
3.9 |
0.37/ 0.36 |
1.47 |
*1 at temperatures of 24 °C
*2 under consideration of the dilution factor 4
Table 5: Concentrations in the octanol phases
Separating funnel |
Measured concentrations (g/L) |
Mean concentrations*1(g/L) |
1a |
0.96/ 0.96 |
1.92 |
1b |
1.19/ 1.18 |
2.38 |
2a |
0.76/ 0.75 |
1.51 |
2b |
0.76/ 0.78 |
1.54 |
3a |
0.97/ 0.94 |
1.91 |
3b |
0.97/ 0.97 |
1.94 |
*1under consideration of the dilution factor 2
In Table 6 the total amount of test item found in the two phases, the recovery rate and the partition coefficients are shown. As 20 mL of the stock solution were added to each separating funnel, each funnel should contain 96.74 mg of the test item.
Table 6: Results of the shake-flask-method
Separating funnel |
Total amount of test item in the separating funnel (mg) |
Recovery rate (%) |
Pow |
Log Pow |
1a |
98.3 |
102 |
1.280 |
0.1 |
1b |
108.7 |
112 |
1.553 |
0.2 |
2a |
103.8 |
107 |
1.391 |
0.1 |
2b |
105.4 |
109 |
1.414 |
0.2 |
3a |
104.6 |
108 |
1.354 |
0.1 |
3b |
107.0 |
111 |
1.318 |
0.1 |
Mean value |
0.1 |
|||
Standard deviation |
<0.1 |
The recovery rate in the flasks was slightly too high, but due to very consistent Pow values of all six flasks, and a good recovery rate of the measured standards (Table 7), the test was valid.
To verify the accuracy of the analytical method two freshly prepared standard solutions (prepared with the test item) were measured in between the samples of the shake-flask-method. The results of these measurements are shown in Table 7.
Table 7: Measurement of standard solution
Standard solution (nominal value [g/L]) |
Measured value [g/L] |
Recovery rate [%] |
Ü1 (0.2220) |
0.224 |
101.9 |
0.216 |
98.5 |
|
Ü2 (0.445) |
0.444 |
99.6 |
0.440 |
98.8 |
|
Ü3 (0.913) |
0.913 |
100.0 |
0.926 |
101.4 |
|
Ü4 (1.365) |
1.334 |
97.7 |
1.421 |
104.1 |
The recovery rate of the measured standard solutions was in the range from 97.7% to 104.1%, which shows a good accuracy of the analytical method.
Description of key information
The log Pow of the test item Basic Red 1 was determined to be 0.1 ± < 0.1 at 24 °C (pH 3.9 - 4.4).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.1
- at the temperature of:
- 24 °C
Additional information
The partition coefficient of the test item was determined by to the shake-flask-method according to the OECD Test Guideline 107 (1995) and EU Method A.8. The log Pow of the test item Basic Red 1 was determined to be 0.1 ± < 0.1 at 24 °C (pH 3.9 - 4.4).
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