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EC number: 800-172-4
CAS number: 398141-87-2
The retention times of the deadtime and the
retention times, capacity factors (k') and log10Powvalues
for the reference standards are shown in the following tables:
Retention Time (mins)
Mean Retention Time (mins)
Capacity Factor (k')
8.18 x 10-2
Partition coefficient of sample
The retention times, capacity factor and log10Powvalue
determined for the sample are shown in the following table:
Capacity Factor (k)
Mean log10Pow: 4.11
Partition coefficient: 1.30 x 104
The HPLC method had been originally
attempted using ultra-violet (UV) detection (210 and 240 nm) but no
significant peaks for the main components of the test item were
detected, even at high concentration. The peaks that
were detected did not appear too correlated with the main components and
therefore were probably highly UV adsorbing impurities. This
lead to the shake-flask method being attempted (EC A8, OECD 107), but
unsolved reoccurring problems with the analytical method resulted in the
HPLC method being returned to. The shake-flask method
results, although subject to error because of the analytical issues,
were in the range of log10Pow 3.0 to 3.7.
This second attempt employed the detection
capabilities of an Evaporative Light Scattering Detector (ELSD) and
proved to be very effective in detecting the main components of the test
item but with minimal detection of the peaks seen with UV detection.
The peak in the sample chromatography at 10
minutes was approximately 3 % by percentage area normalization and had a log10Pow of
The determination was carried out using the
HPLC Method designed to be compatible with Method A8 Partition
Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and
Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April
Principle of the Test
The partition coefficient of the test
item was determined from its elution time in comparison with recommended
reference items using a reversed-phase column. Chemicals injected onto
such a column move along by partitioning between the mobile phase, which
is partly aqueous, and the hydrocarbon stationary phase. Elution time
will depend of the hydrocarbon/water partition
coefficient. Water-soluble chemicals will be eluted first and
oil-soluble substances later.
The partition coefficient of the test item
has been determined to be 1.30 x 104, log10Pow 4.11.
International, Ltd. determined the n-octanol/water partition coefficient
of the test substance using the high performance liquid chromatography
study was conducted at the Wildlife International, Ltd. analytical
chemistry facility in Easton, Maryland. The study was performed based on
procedures in the Product Properties Test Guidelines, OPPTS 830.7570, Partition
Coefficient (n-Octanol/Water), Estimation by Liquid Chromatography (1).
method is based on procedures presented in the OECD Guideline for the
Testing of Chemicals, 117: Partition Coefficient (n-octanol/water), High
Performance Liquid Chromatography (HPLC) Method (2), TSCA Title 40 of
the Code of Federal Regulations, Part 796, Section 1570: Partition
Coefficient (n- Octanol/Water) – Estimation by Liquid Chromatography (3)
and Council of the European Communities Directive
92/69/EEC Annex V, Method A.8 (5).
n-octanol/water partition coefficient of the test substance was
determined using high performance liquid chromatography (HPLC) with
ultraviolet detection (UV). The study was identified as Project Number
264C-104. All raw data generated by Wildlife International, Ltd. and a
copy of the final report are filed under Project Number 264C-104 in
archives located on the Wildlife International, Ltd.site.
the chromatographic conditions specified in guidelines, the test
substance eluted as eight resolved peaks. The corresponding partition
coefficients (Log Kow) for the test substance were calculated as (-
0.91), 2.06, 2.81, 3.81, 4.38, 4.50, 4.62 and 5.48. The values in
parentheses were extrapolated. Using the measured peak area for each
calculated partition coefficient, the weighted mean Log Kow for the test
substance was determined to be 1.19.
The Log Pow of the substance was determined to be 4.11; study performed in accordance with OECD 117; Fox (2012)
In a GLP compliant partition coefficient study conducted in accordance
with standardised guidelines, the Log Pow of the test substance was
determined using the HPLC method. Under the conditions of the test, the
Log Pow of the substance was determined to be 4.11.
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