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EC number: 248-957-5 | CAS number: 28313-51-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- March 16, 2018 - March 23, 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: OECD 105 flask method
- Deviations:
- no
- Principles of method if other than guideline:
- OECD 105 flask method
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not determined
- Executive summary:
The partition coefficient (n-octanol/water) of the test item Basic Red 23 was estimated based on the ratio of the individual solubilities of the test item in water and n-octanol. The solubilities were determined according to the flask method.
It was found to be:
log POW = -1.0
Reference
Preliminary visual estimation of the n-octanol solubility
Defined amounts of the test item were stirred with increasing volumes of n-octanol at room temperature and visually checked for any undissolved particles.
Table4: Results of the preliminary visual estimation of the n-octanol solubility
Amount of test item / g |
Added volume of n-octanol / mL |
Total volume of n-octanol / mL |
Stirring time / h |
Appearance of mixture |
0.1016 |
0.1 |
0.1 |
0.5 |
not dissolved |
0.4 |
0.5 |
0.5 |
not dissolved |
|
0.5 |
1 |
0.5 |
not dissolved |
|
1 |
2 |
0.5 |
not dissolved |
|
3 |
5 |
0.5 |
not dissolved |
|
5 |
10 |
0.5 |
not dissolved |
|
10 |
20 |
0.5 |
not dissolved |
|
30 |
50 |
~52 |
not dissolved |
|
50 |
100 |
0.5 |
not dissolved |
According to this preliminary test the solubility of the test item in n-octanol was below 2g/L (without correction for the purity).
1.1.2.Estimation of the logOWfrom the preliminary test
The partition coefficient POWmay be estimated from the saturation concentrations in n-octanol and water.
The estimated partition coefficient was calculated with the water solubility data determined in project PS20170186-4 (cS = 53 g/L) andthe data obtained above. It was calculated to be below log POW -1.4. Due to the calculations the partition coefficient was estimated based on the ratio of the solubilities in water and octanol. The octanol solubility was determined using the flask method.The shake flask method was not applicable due to the composition of the test item and the HPLC method was not applicable due to the low log POW.
Determination of the solubility in n-octanol: Flask method
The individual saturation solubility of the test item in n-octanol was performed within this study. After that, the partition coefficient was estimated based on the ratio of the test item solubility in n-octanol and water. The flask method was performed as described above. The data for the evaluation are given in Table5. The n-octanol solubility was calculated from the measured and unrounded concentration values and not from the rounded values given in Table5.
Table5: n-Octanol solubility experiments of the test item
Experiment |
24 h experiment |
48 h experiment |
72 h experiment |
blank experiment (72 h) |
Amount of test item / mg |
515.2 |
507.6 |
519.6 |
-- |
Amount of octanol / mL |
50 |
50 |
50 |
50 |
Stirring time at 30 °C / h |
24 |
48 |
72 |
72 |
Dilution factor |
200 |
200 |
200 |
200 |
Measured concentration / mg/L |
28.93 / 28.92 |
25.72 / 25.77 |
30.24 / 30.29 |
-- / -- |
Mean concentration / mg/L |
28.93 |
25.74 |
30.27 |
-- |
n-Octanol solubility / g/L |
5.79 |
5.15 |
6.05 |
-- |
The n-octanol solubility of the test item at 20 °C was determined to be 5.7g/L.
1.1.4. Calculation of the partition coefficient log POWfrom the individual solubilities
In theproject PS20170186-4the water solubility of the test item at 20 °C was determined to be53 g/L (± 2 g/L). Within this project the n-octanol solubility of the test item at 20 °C was determined to be 5.7 g/L.
The partition coefficient POWof the test item was determined to be:
log POW= -1.0
Description of key information
The partition coefficient (n-octanol/water) of the test item Basic Red 23 was estimated based on the ratio of the individual solubilities of the test item in water and n-octanol. The solubilities were determined according to the flask method.
It was found to be:
log POW = -1.0
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1
- at the temperature of:
- 20 °C
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