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EC number: 230-603-6
CAS number: 7216-56-0
The concentrations obtained in both
phases and the corresponding log Pow are presented as a function of time
during the three independent slow-stirring experiments in the following
Demonstration of the chemical
The log Pow was calculated for each sampling
time and chemical equilibrium was demonstrating by plotting this ratio
against time. A plateau in this plot indicated that equilibrium was
attained and that the compound was truly dissolved in octanol. If not,
the test needed to be continued until four successive time points
yielded a slope that was significantly different from zero at a p-level
of 0.05, indicating that log Pow was independent of time.
An hypothesis test for regression slope was
carried out to demonstrate the equilibrium state of the system. The
first step was to state the null hypothesis and an alternative
H0: The slope of the regression line was
equal to zero.
Ha: The slope of the regression line was not
equal to zero.
If the relationship between log Pow and time
was significant, the slope would not be equal to zero. For this
analysis, the significance level was 0.05. Using sample data, a linear
regression t-test was conducted to determine whether the slope of the
regression line differed significantly from zero. To apply the linear
regression t-test to sample data, the slope of the regression line, the
standard error of the slope, the degrees of freedom, the t-score test
statistic, and the P-value of the statistical test were required.
Two degrees of freedom were chosen due to
the four observations used.
According to the student distribution tables
with two degrees of freedom and a significance level of 0.05, H0 could
be accepted if:
-4.303 < t < 4.303
The sampling time period used for this
equilibrium demonstration was from 13/11/2017 14:00 to 15/11/2017 07:45.
The results of this statistical test are
presented in the following tables:
Since all the t values were included in the
[-4.303;4.303] interval, the equilibrium state can be declared for all
the vessels and all the isomer groups between 13/11/2017 14:00 to
Log Pow calculation:
The following tables present the log
Pow for each vessel and their corresponding statistical weights (wi)
The average log Pow are:
log Pow,Av = 4.71 + 0.01
Calculation of the mass balance:
The mass balance in each system can be
calculated knowing the measured concentration in both phases at the
equilibrium state and the introducedamount of test item.
The mass balance between 13/11/2017 14:00 to
15/11/2017 07:45 for each vessel are presented below:
A progressive loss of test item was observed
during the study. Nevertheless, the loss occurred at the same rate in
both phases because the log Pow value was constant during the study.
This test item loss did not seem to have an impact on its log Pow
A study was performed to assess the
partition coefficient of test item (E,Z)-2,6-DIMETHYLOCTA-2,4,6-TRIENE
by the slow stirring method.
Three determinations were carried out at 25
°C +/- 0.5°C. 50 mL of octanol saturated with water containing 5 g/L of
the test item were equilibrated with 500 mL of ultra-pure water
saturated by octanol. Equilibrium was obtained when the observed log Pow
reached a plateau. The test item concentrations were monitored in both
phases by HPLC/DAD.
Based on the weighted average of the three
determinations with the slow-stirring method, the partition coefficient
determined at 25 °C +/- 0.5 °C for the
log Pow,AV = 4.71 + 0.01
partition coefficient of (E,Z)-2,6-DIMETHYLOCTA-2,4,6-TRIENE
was determined at 25°C by slow-stirring method according to OECD
log Pow = 4.71 ± 0.01
Key study conducted according to OECD
guideline 123. The result is scientifically acceptable and obtained
Therefore a reliability of 1 (reliable
without restrictions) was assigned.
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