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EC number: 849-166-3
CAS number: 83841-00-3
Table 1: Analysed concentrations, aqueous phase pH and resulting
test item weights – pH 5
Total weight (mg)
Mass recovery (%)
Analysed concentration (mg/L)
Table 2: Analysed concentrations, aqueous phase pH and resulting
test item weights – pH 7
Table 3: Analysed concentrations, aqueous phase pH and resulting
test item weights – pH 9
The octanol-water partition coefficient of the substance was determined
under GLP in accordance with OECD TG 107, by using the shake flask
method. For the determinations at specified pH conditions, individual
buffer solutions were prepared and mutually saturated with n-octanol.
Stock solutions of the test substance in the buffers were produced by
diluting aliquots of 0.2549 g (pH 5), 0.2507 g (pH 7) and 0.2510 g (pH
9) in 250 mL of n-octanol saturated buffer solution. These were used as
the aqueous phase in the test. The organic phase for the specific pH
determinations was the relevant buffer solution saturated n-octanol. For
each test conditions, six partitions were tested according to the
following setup at a test temperature varying from 20 to 20.4 °C.
In each test, the combined volume of both phases occupied not less than
90% of the total volume of the test vessel. The organic and aqueous
phases were equilibrated to the test temperature for a minimum of one
hour before partitioning, which was performed by inversion of the flasks
through approximately 180 °C over a five minute period. The test
temperature was measured and confirmed at the time of partitioning and
the flasks then returned to the 20 °C conditions to allow initial phase
separation prior to decanting the individual phases for centrifugation.
Individual aliquots of each phase from each vessel were taken and phase
separation ensured by centrifugation at at leas 13000 rpm for 15
minutes. Aliquots of both phases from each vessel and each stock
solution were taken for analysis by HPLC. The analysis of the organic
phase sample solutions showed that the concentration of test substance
was below the limit of quantification of the applied method (0.5 mg/L).
A limit value of <1.0 mg/L in the organic phase was used in the
calculation of Kow values (corrected for the dilution factor of 2). The
Kow value at all tested pH values was <0.001. The resulting log Kow was
thus <-3.0 at pH 5, 7 and 9 at a temperature of 20 °C.
log Kow <-3.0 at pH 5, 7, 9 and 20 °C (GLP, OECD TG 107, shake flask
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