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EC number: 201-506-6 | CAS number: 83-86-3
The study was performed to determine the log PO/Wof the test item using the HPLC method according to OECD 117 resp. EU A.24.
The study was performed using a HPLC with a C18 column. Six reference items with different retention times and thiourea for the determination of the dead time were used to produce a calibration curve, since retention time on hydrophobic columns and POWare correlated. The reference items were chosen based on the results of the pre-test. One vial was filled with the reference item mix and one vial with the test item solution. The vials were analysed using the HPLC with the program described below. First one injection from the solvent blank methanol/25 mM phosphate buffer pH 7 65/35 (v/v) was made. Then three injections were measured from the reference item mix, three injections from the test item and again three injections from the reference item mix. For each reference item, the capacity factor k was calculated from the retention time of thiourea and the retention time of the respective reference item.
A calibration function (log k versus log PO/W, linear fit) was determined using the literature values for PO/Wof the reference items and the retention times in the six determinations.
The test item showed one peak with a retention time 1.52 min with a very low standard deviation of 0.002 min. This peak lay not within the range of log PO/W’s of the reference items. The retention time of the test item peak was lower than the retention time of 2‑Butanone (1.857 min), the reference item with the lowest log POW, therefore a correct calculation is not possible. Therefore, the log PO/Wof the test item is stated as < 0.3.
Determination of the Log P O/W by using the HPLC method according to OECD 117 resp. EU A.24
The peak of the test item lays not within the range of log POW’s of the reference items. The retention time of the test item peak was lower than the retention time of 2‑Butanone (1.857 min), the reference item with the lowest log POW, therefore a correct calculation is not possible. Therefore, the log POWof the test item is stated as < 0.3.
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