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EC number: 279-632-6 | CAS number: 80939-62-4
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Estimated logD values of the representative compononents at pH 7 at 25°C are given as follows:
logD= -4.0 (of phosphoric acid, monohexyl ester)
logD= 1.0 (of phosphoric acid, dihexyl ester)
logD= 2.6 (of 1-tridecanamine, linear)
logD= 8.8 (of 1-tridecanamine, N-tridecyl-, linear)
Key value for chemical safety assessment
Additional information
This substance is a mixture of a lipophilic (the amine) and a rather hydrophilic (the phosphate) components. In an octanol/water partitioning system it forms emulsions due to it's amphiphilic nature. Thus, a measurement of log P is neither possible nor sensible. Furthermore, the test substance has a high surface activity.
The logD values mentioned have been generated by the calculation on individual representative selection component using recommended software ACD/Labs cited in SciFinder database.
The log Pow values of the undissociated form of the individual representative selection component have been also generated by calculation using recommended KOWWIN module of software EPI Suite and the results are given as follows:
logPow= 1.7 (of mono-hexylphosphate)
logPow= 4.3 (of di-hexylphosphate)
logPow= 5.3 (of tridecylamine, linear)
logPow= 11.6 (of di-tridecylamine, linear)
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