Registration Dossier
Registration Dossier
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EC number: 906-484-8 | CAS number: -
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Using the correlation log k’ / log KOC, the log KOC corresponding to the peaks of the test item of reaction mass of DIPE and 2-methylpent-2-ene was in the range of 1.412-2.559. Though a further peak corresponding to log KOC = 0.839 lays outside the range for the reference items, it was included in an overall estimate of the range of log Koc values (ca. 0.8 - 2.6) of the reaction mass as it is probably due to polar impurities like isopropanol. The value for DIPE of 1.4 was used as an intermediate value for chemical safety assessment.
Key value for chemical safety assessment
- Koc at 20 °C:
- 25.8
Additional information
The chromatogram of the test item gave three peaks. Using the correlation log k’ / log KOC of peak 2 and 3,
the log KOC of the test item reaction mass of DIPE and 2-methylpent-2-ene was calculated in the range of 1.412-2.559. Though a further peak corresponding to log KOC = 0.839 lay outside the range for the reference items, it was included in an overall estimate of the range of log Koc values (ca. 0.8 - 2.6) of the reaction mass as it is probably due to polar impurities like isopropanol.Variations in the retention times of reference items and test item are very small. Therefore a stable configuration of the HPLC-column can be assumed.
The correlation log k’/log KOCis sufficiently accurate, as calibration gave a coefficient of determination r2= 0.954.
No observations were made which might give doubts concerning the validity of the study outcome.
The result is considered as valid.
Literature / (Q)SAR log Koc values of the main components of the reaction mass lie within the same range as the experimentally determined values discussed above: estimated value for DIPE: 1.5 and estimated values for 2 -methylpent-2 -ene: 2.0 - 2.7 (1) confirming the validity of the measured data.
References:
(1) Estimation Program Interface (EPI) Suite,2000-2009, U.S. Environmental Protection Agency
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