6,6'-(Ethane-1,2-diylbis(azanediyl))bis(dibenzo[c,e][1,2]oxaphosphinine-6-oxide)“

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2016-11-03 - 2016-11-10

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Name EDA-DOPO
Batch no. 1501
Appearance white powder
Composition 6,6'-(Ethane-1,2-diylbis(azanediyl))bis(dibenzo[c,e][1,2]oxaphosphinine-6-oxide)
CAS No. 1421927-53-8
EINECS-No. not stated
Molecular formula C26H22N2O4P2
Molecular weight 488.4 g/mol
Purity >98% (NMR)
Homogeneity homogeneous powder

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

2.258

Temp.:

25 °C

Remarks on result:

other: pH not stated

The calculated values are presented in the following table:

Capacity Factor, log Capacity Factor, log P_OWTest Item

Measurement	k	log k	log POW
Measurement 1	2.1875	0.3399	2.258
Measurement 2	2.1832	0.3391	2.256
Measurement 3	2.1893	0.3403	2.259
Mean			2.258
Standard deviation			0.001

Conclusions:

The study was performed using a HPLC with a C18 column. Six reference items with different retention times and thiourea for the determination of the dead time were used to produce a calibration curve, since retention time on hydrophobic columns and POW are correlated. The reference items were chosen based on the results of the pre-test.

One vial was filled with the reference item mix and one vial with the test item solution. The vials were analysed using the HPLC with the program described below. First one injection from the solvent blank methanol/water 65/35 (v/v) was made. Then three injections were measured from the reference item mix, three injections from the test item and again three injections from the reference item mix.

For each reference item, the capacity factor k was calculated from the retention time of thiourea and the retention time of the respective reference item.
A calibration function (log k versus log POW, linear fit) was determined using the literature values for POW of the reference items and the retention times in the six determinations.

The test item showed one Peak with a retention time of 4.419 min with a low standard deviation of 0.004 min.
Using the correlation log k / log POW, the log POW of the test item EDA-DOPO was calculated as 2.258 ± 0.001 (mean ± standard deviation).

Executive summary:

The study was performed using a HPLC with a C18 column. Sixreference items with different retention times and thiourea for the determination of the dead time were used to produce a calibration curve, since retention time on hydrophobic columns and P_OW are correlated. The reference items were chosen based on the results of the pre-test.

One vial was filled with the reference item mix and one vial with the test item solution. The vials were analysed using the HPLC with the program described below. First one injection from the solvent blank methanol/water 65/35 (v/v) was made. Then three injections were measured from the reference item mix, three injections from the test item and again three injections from the reference item mix.

For each reference item, the capacity factor k was calculated from the retention time of thiourea and the retention time of the respective reference item.

A calibration function (log k versus log P_OW, linear fit) was determined using the literature values for P_OW of the reference items and the retention times in the six determinations.

 

The test item showed one Peak with a retention time of 4.419 min with a low standard deviation of 0.004 min.

Using the correlation log k / log P_OW, the log P_OW of the test item EDA-DOPO was calculated as 2.258 ± 0.001(mean ± standard deviation).

Description of key information

The HPLC method in accordance with EC A.8 and OECD 117 guidelines was performed to determine the partition coefficient (n-octanol/water).

The test item showed one Peak with a retention time of 4.419 min with a low standard deviation of 0.004 min.

Using the correlation log k / log POW, the log POW of the test item EDA-DOPO was calculated as 2.258 ± 0.001 (mean ± standard deviation).

Key value for chemical safety assessment

Log Kow (Log Pow):

2.258

at the temperature of:

25 °C