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Environmental fate & pathways

Adsorption / desorption

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Description of key information

No determination was possible according to Method C19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001.
Therefore, the adsorption coefficient of each set of components was estimated using a computer-based atom fragment contribution method, KOCWIN, version 2.00 (February 2009), © 2000-2008 US Environmental Protection Agency.

Key value for chemical safety assessment

Additional information

Method

No determination was possible according to Method C19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001, due to the following reasons:

  • An assessment of the emulsification properties of the test item was carried out with the test item prepared in water saturated n-octanol (at 1.04 g/l) and shaken with an equal amount of n-octanol saturated water. Observations after shaking indicated that the two immiscible phases emulsified easily; additionally, after 90 minutes standing, the upper phase was a very densely white opaque emulsion, the lower layer being a translucent white liquid. It was therefore considered that the test item was surface-active. Surface-active items are not suitable for determination by the HPLC method.
  • The dissociation constants of the imidazoline and amine functional groups were estimated to be in the range approximately 10.9 to 5.7 (see Section 11). Therefore, the test item would maintain at least one cationic charge over the entire environmentally relevant pH range of 5.5 to 7.5 applicable for the method. However, cationic species have been demonstrated to interact with the HPLC column stationary phase by mechanisms other than partitioning, thus invalidating the estimation of the adsorption coefficient of the test item by comparison to the capacity factors of reference substances of known adsorption coefficient values.

Therefore, the adsorption coefficient of each set of components was estimated using a computer-based atom fragment contribution method, KOCWIN, version 2.00 (February 2009), © 2000-2008 US Environmental Protection Agency.

Discussion

The Sponsor indicated that the oleyl- functional groups of Components A to E contain the cis- isomer, as opposed to the non-defined, non-isomeric oleyl- groups evaluated. This was due to a limitation of the software. However, it is anticipated that this limitation should have negligible impact on the end results.

It must be noted that partitioning forces with the organic carbon content of soils may not be the dominant force controlling the mobility of cationic substances in soils. Strong ionic interaction with clay particles,et al, will also influence the fate of the test item in soils.

Conclusion

The estimated adsorption coefficient (log10Koc) values are presented in the following table:

Components

Estimated log10Koc

MCI method

Kow method

A

~5.1

~4.6

B

~10.0

~9.7

C

~4.3 to ~5.3

~3.3 to ~4.4

D

~8.1 to ~9.2

~7.5 to ~8.6

E

~5.9

~5.5