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EC number: 263-503-6
CAS number: 62314-25-4
partition coefficient of salts is required within the environmentally
relevant pH range of5
to 9 at which the theoretical solubility is maximized in n-octanol and
therefore the value ofpartition
coefficient is maximized. As the quaternary amine retains a permanent
irrespective of pH, evaluation of the test system pH was therefore
limited to theformic
acid content of the test item.Based
on a literature dissociation constant value of 3.75 for the carboxylic
of formic acid (Haynes, W M (editor), CRC Handbook of Chemistry and
CRC Press, 2013), the test system was buffered to a nominal pH of 5 and
characteristics of the major component (the hydroxypropyl, 2-,trimethylammonium
content of the test item) was monitored and quantified by HPLC-MS.On
analysis of the organic phases, no quantifiable responses were obtained
for any of the sixphases
analyzed, with all responses being less than that obtained for the
standard solution. Therefore a limit value has been used for the organic
during the calculation of the partition coefficient for this test item
limit value selected was less than a concentration of 0.5 mg/L, which
concentration of the duplicate QC standards analyzed during calibration
instrument and was also approximately ten times the maximum response
any of the organic phases. On correcting this limit value for the
for the analysis of organic phases (10), an actual limit value of <5.0
The use of a limit value in no way impacted on the validity of the study
confirmed the partition coefficient of the quaternary amine cation as
being log Pow<-2.00,
which is the lower domain limit of the regulatory method used.
Pow was found to be less than 1.0 x 10-2`at
22.5 ± 0.5 °C,log10Pow<-2.00,
monitoring the hydroxypropyl, 2-, trimethylammonium content of the testitem,
at a nominal pH value of 5 (actual value 5.0 to 5.1).
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