Registration Dossier
Registration Dossier
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EC number: 929-305-5 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Attempts were made to perform by HPLC and Shake Flask, but due to complexity of the UVCB, these methods were not possible.
The three main components were assessed separately by KOWWIN with a range of Log Kow - 2.04 to 1.26.
For purposes of risk assessment, the highest figure has been rounded to 1.3
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.3
- at the temperature of:
- 20 °C
Additional information
Partition Coefficient (n-Octanol/Water); no determination was possible according to Method A8 Partition Coefficient but HPLC or Shake Flask and partition therefore estimated using a computer-based atom fragment contribution method, KOWWIN, version 1.68 (September 2010), from U.S. Environmental Protection Agency.
Partition coefficient (log10 Pow) values for each of the three main test item components were estimated separately and these were Log Kow 1.26, -0.39 and -2.04.
Even taking into account potential inaccuracies in the model, especially for such a complex substance with nitrogen groups, other data including water solubility, suggest a low risk of bioaccumulation and although such estimate is not entirely satisfactory, it is considered to be sufficient. Independent review agreed with the impracticality of HPLC or shake flask estimates.
It is known that this class of substance will exhibit emulsifying properties when mixed with water and hydrophobic materials such as octanol and a shake flask test was not attempted. By aiding the dissolution of octanol in water, the results would have been unreliable.
Likewise, nitrogen-rich molecules will exhibit an overall charge and will be ionised at environmentally significant pH values. Attempts to pass this through HPLC columns in this form would lead to artificially high retention when compared with un-ionised reference substances. It may be possible to run HPLC assessments at pH > 11, but this has little environmental significance.
The use of modelling, even though on the un-ionised structures, does give an indication of potential risk of bioaccumulation. The miscibility in water and low estimated Log Kow suggest low risk.
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