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EC number: 264-140-6
CAS number: 63429-28-7
Slightly soluble.pH of saturated solution: 7
Two fully reliable, GLP, studies are available:
- The Firmenich 2009f study was conducted according to the standard
flask method. The 24h sample was considered not to have reached
equilibrium, therefore the mean of 48 and 72h results was retained.
Minor weakness (incomplete method validation, excess test item) were not
considered to affect significantly the validity. However, due to the low
value obtained, 1.93 mg/L, it was decided to re-run a new study, with a
modified slow-stirring protocol, considered more suitable for low
soluble liquid substances.
- In the Noack 2015 study, the mixture was slowly agitated and
equilibrated for 72 +24h before sampling, the analytical method was
fully validated, and the plateau concentration was determined as 13.4
No pH-dependency (no ionisable function) and no surface-active potential
are anticipated, that could explain the difference and its direction,
nor the test conditions as described in the report.
However, in the second study, the typical chromatogram of the test
solution shows a secondary, unidentified, peak, that leads to suspected
degradation. According to the sponsor, no hydrolysis is anticipated.
Photolysis can't be proven, as in the slow-stir study, the vessels were
protected from light, but this was not specified in the first study
report, and the information are not sufficient to confirm the
degradation hypothesis. Moreover it should be considered that the
chemical structure contains a conjugated system.
Therefore the higher result is retained as key value, as considered to
reflect better the solubility of the parent compound.
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