Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
April to June, 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 6.5
Remarks on result:
not measured/tested
Remarks:
HPLC method pH and Temp not measured
Details on results:
An injection of a reference reagent blank solution (75% ACN: 25% H2O (v/v)) showed that the reagents used for preparation of the calibration reference standard solutions were free of any potentially interfering contaminants.
A reference standard of thiourea was injected in duplicate (once near the beginning and once near the end of the HPLC sequence) and the retention time was averaged to determine the analytical column dead time (t0) for use in calculating the capacity factors of the other reference standards and the test substance. The mean retention time of the duplicate thiourea standard injections was 1.661 minutes on the UV detector. The six additional calibration reference standard solutions were analyzed after each thiourea injection to determine retention times. Calculated log k values for thiourea, bromobenzene, naphthalene, diphenyl ether, 1,2,4-TCB, fluoranthene, and DDT reference standards.
Prior to the injections of the test substance solutions, a THF fortified reagent blank was injected to identify any background peaks associated with the reagents used in preparation of the test substance samples.
The three 10.0-mg/L F-3014 solutions were sequentially injected. F-3014 eluted as four peaks on the UV detector. The mean retention time of each peak was 24.864, 31.286, 32.241, and 51.389 minutes, respectively. Immediately following the injections of the 10.0-mg/L test substance solutions, a 50.0-mg/L test substance solution was injected to confirm which peaks were from the test substance. Since all the peaks had to be driven off the column by way of a stronger mobile phase than used for the elution of the reference standards, the log Pow for all the test substance peaks were reported as greater than the highest Pow reference standard, DDT (log Pow = 6.5). The capacity factors (k) of each test substance peak were then calculated based on the corresponding retention time. The corresponding mean log Pow for each of the four F-3014 peaks was calculated as greater than 6.5.
Conclusions:
Under the chromatographic conditions specified, F-3014 eluted as four discrete peaks. All four of the peaks eluted after the high Pow reference standard, DDT, under the standard conditions and only after a less polar mobile phase was used to drive the test substance off the column. Therefore, the log Pow for F-3014 was greater than 6.5 using the HPLC-estimation method.
Executive summary:

The objective of this study was to experimentally estimate the n-octanol/water partition coefficient of F-3014 by a reverse-phase high performance liquid chromatography (HPLC) method. Under the chromatographic conditions specified, F-3014 eluted as four discrete peaks. All four of the peaks eluted after the high Pow reference standard, DDT, under the standard conditions and only after a less polar mobile phase was used to drive the test substance off the column. Therefore, the log Pow for F-3014 was greater than 6.5 using the HPLC-estimation method.

Description of key information

Under the chromatographic conditions specified, F-3014 eluted as four discrete peaks. All four of the peaks eluted after the high Pow
reference standard, DDT, under the standard conditions and only after a less polar mobile phase was used to drive the test substance off the
column. Therefore, the log Pow for F-3014 was greater than 6.5 using the HPLC-estimation method.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.5

Additional information