Registration Dossier
Registration Dossier
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Benzenesulfonic acid, mono- and dialkylation products with C16-20 (even numbered, branched and linear) olefins, calcium salts, calcium carbonate, overbased, including distillates (petroleum), hydrotreated, solvent-refined, solvent-dewaxed, or catalytic dewaxed, light or heavy paraffinic C15-C50
EC number: 701-356-6 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Introduction
No determination was possible according to Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Methods 107 and/or 117 of the OECD Guidelines for Testing of Chemicals, due to the following reasons:
The test item is a complex mixture of calcium alkyl benzene sulphonates in mineral oil (approximately 50:50 w/w). Therefore, as the shake-flask method is not appropriate for complex mixtures, it was considered that testing could not be carried out using the shake-flask method.
The HPLC method was then carried out. However, the test item was noted to elute just after the dead-time of the column. This finding was out-of-agreement with the estimated log10partition coefficient, as well as knowledge that the calcium alkyl benzene sulphonates were extremely soluble in mineral oil but relatively insoluble in water. Therefore, it was concluded that the HPLC method was also not appropriate.
Estimation using the ratio of the solubility of the test item in n-octanol and water would also be unreliable due to the presence of the mineral oil.
Method
Therefore, the partition coefficient was estimated using thecomputer-based specialist estimation software, KOWWIN, version 1.67a (Sept 2008), © 2000 U.S. Environmental Protection Agency. No organo-calcium reference substances were found with known partition coefficients; therefore, it was not possible to validate the software.
Results
Using the software, the partition coefficient (log10 Pow) has been estimated to be 15.5. The results are presented in Appendix 1 (Attachment 1 of this IUCLID Summary).
Conclusion
Using a computer-based atom fragment contribution method, KOWWIN, version 1.67a, © 2000 US Environmental Protection Agency, the partition coefficient (log10 Pow) has been estimated to be 15.5.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 15.5
Additional information
Introduction.
No determination was possible according to Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Methods 107 and/or 117 of the OECD Guidelines for Testing of Chemicals, due to the following reasons: The test item is a complex mixture of calcium alkyl benzene sulphonates in mineral oil (approximately 50:50 w/w). Therefore, as the shake-flask method is not appropriate for complex mixtures, it was considered that testing could not be carried out using the shake-flask method. The HPLC method was then carried out. However, the test item was noted to elute just after the dead-time of the column. This finding was out-of-agreement with the estimated log10 partition coefficient, as well as knowledge that the calcium alkyl benzene sulphonates were extremely soluble in mineral oil but relatively insoluble in water. Therefore, it was concluded that the HPLC method was also not appropriate. Estimation using the ratio of the solubility of the test item in n-octanol and water would also be unreliable due to the presence of the mineral oil.
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