2,2'-[(1-methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxymethylene]]bisoxirane

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

18/04/2012-07/06/2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to other study

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

5.73

Remarks on result:

other: The main component

Remarks:

HPLC method

Type:

log Pow

Partition coefficient:

> 6.5

Remarks on result:

other: The second component

Remarks:

HPLC method

Details on results:

An injection of a reagent blank solution (75% ACN: 25% H2O (v/v)) showed that the reagents used for preparation of the calibration reference standard
solutions and F-2200 HM 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 1.652 minutes on the UV detector. The six additional calibration reference standard solutions were analyzed after each thiourea injection with one injection of a reference standard solution immediately prior to the test substance injections to determine retention times.
The three 10.0-mg/L F-2200 HM solutions were sequentially injected. F-2200 HM eluted as two peaks on the UV detector. The mean retention time of each peak was 9.372 and 25.500 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 the second peak of the test substance 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 the second peak of the test substance was 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 F-2200 HM peak was calculated as 5.73 and greater than 6.5, respectively.

Reference standards: thiourea, bromobenzene, napthalene, diphenyl ether, 1,2,4-TCB, fluoranthene, DDT

Conclusions:

Under the chromatographic conditions specified, F-2200 HM eluted as two discrete peaks. The mean log Pow for the first test substance peak was determined to be 5.73 ± 0.001 log units (N = 3, CV = 0.021%). The mean log Pow for the second test substance peak was determined to be greater than 6.5 using the HPLC estimation method.

Executive summary:

Under the chromatographic conditions specified, F-2200 HM eluted as two discrete peaks. The mean log Pow for the first test substance peak was determined to be 5.73 ± 0.001 log units (N = 3, CV = 0.021%). The mean log Pow for the second test substance peak was determined to be greater than 6.5 using the HPLC estimation method.

Description of key information

The partition coefficient of F-2200 was determined using the HPLC estimation method. The mean Log Pow was 5.73.

Key value for chemical safety assessment

Log Kow (Log Pow):

5.73