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EC number: 202-936-7
CAS number: 101-37-1
As a worst case the log Pow value in water of 3.51 is used as key value.
Two experimental studies for determination of the partition
coefficient octanol/water are available. In the key study, the
solubility of Triallyl cyanurate has been tested individually in water
and in octanol. The determination of the solubility in four different
aqueous media (water and buffer solutions at pH 4, 7 and 9) has been
performed in duplicate at a concentration above the saturation limit
after 72 h of incubation and shaking and analyzation by HPLC. No
remarkably significant different solubilities of Triallyl cyanurate at
different pH were observed (mean solubilities in water, pH 4, pH 7 and
pH 9 have been 308, 333, 247 and 284 mg/l respectively).
The solubility in octanol has been determined separately with a
solubility test with the test substance 1:1 in n-octanol (25 g of test
substance in 25 ml n-octanol). The substance concentration has been
analyzed by HPLC. Triallyl cyanurate (TAC) was fully soluble in
n-Octanol. Based on the resulting solubilities in aqueous solvents and
n-octanol, the logarithmic partition coefficients (n-octanol/water) of
the test item were calculated and resulted in a logKow of 3.25 in water.
Additionally, the logKow value has been recalculated by assuming a
theoretical maximum solubility of Triallyl cyanurate in octanol of 100%
in a worst-case approach. By this approach, the highest theoretically
achievable logKow in water is 3.51. As a worst-case approach, the
highest calculated log Pow in water of 3.51 will be used as key value.
Using this value and by calculating the logKow based on individual
solubilities of Triallyl cyanurate in water and n-octanol, any
unexpected but possibly existing effects of dissociation are taken into
The supporting study has been strictly performed according OECD
107, shake flask method and resulted in a logKow of 2.8. The result of a
QSAR analysis with the program ACD Labs supports this result.
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