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EC number: 945-075-9 | CAS number: -
Table 1: Log octanol-water partition coefficient (Log KOW)
Log Kow = 7.16 – 11.97
The partition coefficient, Log Kow, of the test item was determined using the SPARC (v6.0), ALOGPS and KOWWIN (v1.68) QSAR models. The substance is of uncertain and variable composition which cannot be measured directly due to dispersion in a base oil medium. The constituents present are assumed based on the reactants, and detected analytically only when isolated from the base oil and the Log Kow was determined to be in the range of 7.16 – 11.97 at 25 °C.
The linearity of the analytical method was confirmed in the log Pow range from 0.9 to 5.1;
Calibration Curve: y = 0.3540x - 0.4651; r2 = 0.976
Table 1: Capacity Factor (k') and log Pow of the 1st Test item response
* values represent rounded results calculated from the exact raw data
1 Mean value of three measurements
2 Calculated from regression data
Table 2: Capacity factor (k') and log Pow of the 2nd test item related response
1Mean value of three measurements
2Calculated from regression data
Table 3: Capacity factor (k') and log Pow of the Reference Items
2Values represent round results calculated from the exact raw data
3Log Pow values given in OECD Guideline No. 117
The partition coefficient of the test item was determined in an OECD 117 and EC A.8 guideline study using a HPLC method with DAD detection. The test item was tested in a solution of 50 % methanol and 50 % pure water. The partition coefficients were calculated based on a calibration curve using 7 reference items and the test item was analysed in triplicate. Pre-tests were performed to confirm the suitability of the HPLC conditions and the reference items.
In the obtained chromatographic data two test item related signals were detected. Therefore two Log Pow were determined for the test item under the chromatographic conditions and these were 2.6 and 2.9 at 25 ± 1 °C. The test item is a UVCB and contains more than two components therefore it is likely that other components do not elute with the used chromatographic conditions. The other components are expected to have different Log Pows.
The study is a GLP compliant, guideline experimental study and is deemed reliable without restrictions for assessment of this endpoint.
The partition coefficient, Log Kow, of the test item was determined using the SPARC (v6.0), ALOGPS and KOWWIN (v1.68) QSAR models to be in the range of 7.16 – 11.97 at 25 °C.
In a supporting study the Log Pow was determined to be 2.6 and 2.9 at 25 ± 1 °C (Mollandin 2009). However, the structures associated with the peaks were not identified. The test item is a UVCB and contains more than two components, other components probably do not elute with the used chromatographic conditions. The other components are expected to have different Log Pows. This study is therefore used as supporting data.
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