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EC number: 620-455-4
CAS number: 524709-74-8
Pre-estimation of the partition coefficient of the test item using a calculation method The program KOWWIN (part of EPI Suite) was used for calculating the log Pow of the test item. The calculated value was 7.9.
Therefore, according to the guidelines, the partition coefficient n-octanol/water of the test item at room temperature was determined by the HPLC method.
The results from the HPLC method are summarized in Table 1 to Table 5.
Table 1: Determination of the dead time t0
Dead time marker
Dead time: t0 = 1.02 min
Table 2: Calibration data 1st injection
Allyl phenyl ether
Regression: logPow = a+ b · log k
Parameters: a = 4.387, b = 3.873, r2 = 0.9480
Table 3: Log Pow of the test item 1st injection
> 6.5* (7.6**)
* above the highest log Pow value of calibration substances (4,4'-DDT)
** via extrapolation
Table 4: Calibration data 2nd injection
Regression: logPow = a + b · log k
Parameters: a = 4.387, b = 3.902, r2 = 0.9485
Table 5: Log Pow of the test item 2nd injection
The partition coefficient Pow of the test item was determined to be: log Pow > 6.5 (log Pow = 7.6)
A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method. The n-octanol/water partition coefficient of the test substance was derived from its retention time and the calibration graph. The retention time of the test item was above the retention time of the highest calibration standard and thus out of the calibration range. Therefore, the partition coefficient n-octanol/water of the test substance was determined to be above 6.5.
The partition coefficient n-octanol/water of the test item was determined according to the HPLC method. It was found to be: log Pow > 6.5 (7.6 via extrapolation).
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