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EC number: 931-801-1
CAS number: -
Log Kow = 6.48
preliminary estimation on pure oleamide (C18:1) performed with EPISUITE
4.0 is indicating:
(KOWWIN v1.68 estimate) = 6.48
evaluation have been done by comparing the estimated values (KOWWIN
v1.68) of the similar compounds and the measured values with HPLC method
(reported as Weight of Evidence summaries)
= shake flask method
It can be
noticed that in the series C22:0 - C20:0 - C18:0
- C16:0 the value of Log Kow is decreasing regularly from >8 to 5.7 and
that the corresponding monounsaturated molecule is predicted 0.2 points
It can be
noticed that the estimated value is in good agreement with the measured
one with HPLC method. In fact the substance experimentally tested for
Log Kow C18 sat. was analytically verified as containing a small % of
consider the estimated value a bit higher than the measured one, in has
to be considered in a very small range of variability (+/- 0.5)
oleamide tested substance with Shake
method was analytically identified as containing a % of C16 uns (6.3%),
therefore also the estimated value, corrected for the composition could
be slightly lower than 6.48 (about 6.41)
the previous considerations, the estimated value for a measurement in
HPLC of the Log Kow for Amides C18:1 is within the range of 6.41 ± 0.5,
i.e. between 5.91 and 6.91.
on the registered substance (Amides, C18 unsaturated) was conducted
applying the shake flask method. As final result is log Kow = 5.8, the
HPLC method would have been more appropriated instead of the shake flask
shake-flask method is based on the ratio of the two solubilities of the
test substance in the pure solvents. The water solubility of the test
material was measured as 1.6 ug/L
in GLP study CH – 065/2010, but no data about n-octanol solubility was
available even if, considering the molecular structure, a much higher
solubility in n-octanol was expected.
affinity for n-octanol of the test material is so much higher than for
water, instrumental analysis was conducted only of the aqueous phases,
assuming that the decrease in test item concentration in the n-octanolic
phase is negligible.
determination of the test material in
the aqueous phase was performed
by HPLC using the MS detector with the external standard method.
details of the experimental conditions are described in the robust study
summary of the appropriate IUCLID sections.
experiment was conducted in a GLP facilities, where all instruments are
constantly calibrated and controlled. The GLP compliance of the lab is
certified by the Italian Minister of Health.
accuracy of the final result strongly depends on the accuracy and
precision of the analytical balance that weighed the sample and the HPLC
determination of the substance in the water phase. The analytical
balance is fully compliant with the GLP requirements and constantly
calibrated and controlled. They are calibrated once a year by external
personnel using first class certified standards and once a week by
internal personnel with second class certified standards. Also
the HPLC determination can be considered reliable. The measure in the
aqueous phase is determined directly, with neither further dilution nor
experimental section of the CH – 066/2010 study, the test material
content in the n-octanolic phases can be considered precise as a
consequence of the precision weight of the test material obtained with
an analytical balance and due to the complete dissolution in the mother
material content as measured in the aqueous phases can be considered
precise by virtue of the direct injection into an HPLC Agilent mod. 1200
coupled with a Triple Quadrupole Mass Detector Agilent mod. 6410,
without pre-treatment or extraction in order to avoid a possible lack of
the MRM technique permitted to avoid any interference as showed in the
representative chromatograms presented in the Annex. The peak areas of
the tested solutions are in the centre of the linearity range (1-10
ng/mL with a correlation factor of 0.99885).
It can be
concluded that, even if the method seems not applicable and reliable for
the substance, the result has been derived with good precision and it is
consistent with the expected result
accuracy of the result is supported by the consistency with the
estimated value with QSAR evaluations and the results of HPLC
measurements on very similar substances.
Risk Assessment point of view, the final result of Log Kow is >> 4 is
triggering a concern for persistency and bioaccumulation. Therefore this
issue has been taken into due account in the PBT and fate behaviour
section and the less accurate measure is not affecting the final
assessment. A more accurate measure would not change the final
reference value taken into account for Risk Assessment is the calculated
one on the pure substance(Log Kow 6.48), as the most conservative one.
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