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EC number: 290-714-0
CAS number: 90218-39-6
A defined amount of the test item was stirred with n-octanol at
room temperature and visually checked for any undissolved parts.
Table3: Results of the preliminary visual estimation of the
Amount of test item
Added volume of n-octanol
Total volume of n-octanol
Appearance of mixture
According to this preliminary test the solubility of the test item
in n-octanol was below <1.4 g/L (without correction for the purity).
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 PS20170188 (cS ≥ 374 g/L) and the data
obtained above. It was calculated to be: log POW -2.4.
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
and the HPLC method were not applicable due to the low log POW.
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 Table4. The n-octanol
solubility was calculated from the measured and unrounded concentration
values and not from the rounded values given in Table4.
Table4: n-Octanol solubility experiments of the test item
24 h experiment
48 h experiment
72 h experiment
experiment (72 h)
Amount of test item / mg
Amount of octanol / mL
Stirring time at 30 °C / h
Measured concentration / mg/L
<0.00984 / <0.00984
-- / --
Mean concentration / mg/L
n-Octanol solubility / mg/L
The n-octanol solubility of the test item at 20 °C was determined
In theproject PS20170188-4the water solubility of the test item at
20 °C was determined to be ≥ 374 g/L. Within this project the n-octanol
solubility of the test item at 20 °C was determined to be< 0.4 mg/L.
The partition coefficient POW of the test item was
determined to be: log
Pow < -6.0
The partition coefficient (n-octanol/water) of the test item 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.The shake flask method and the HPLC method were not
applicable due to the low log POW.
It was found to be:
log POW < -6.0
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