N-methyl-P,P-bis(2-methylaziridin-1-yl)phosphinamide

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

23 March - 04 April 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

The study was conducted according to an internationally recognised method. Test substance is adequately characterised. Therefore full validation applies.

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

2004

Deviations:

no

Principles of method if other than guideline:

Not applicable

GLP compliance:

yes (incl. QA statement)

Remarks:

Inspected on 22-23 May 2017/ Signed on 22 November 2017

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

< 0.3

Temp.:

30 °C

Remarks on result:

other: For the compound 1, the retention time is lower than the retention time of Formamide (2.605 min). The calculation of logPow can not be considered in these testing conditions.

Type:

log Pow

Partition coefficient:

0.4

Temp.:

30 °C

Remarks on result:

other: Compound 2

Type:

log Pow

Partition coefficient:

0.6

Temp.:

30 °C

Remarks on result:

other: Compound 3

Type:

log Pow

Partition coefficient:

1.5

Temp.:

30 °C

Remarks on result:

other: Compound 4

Type:

log Pow

Partition coefficient:

1.7

Temp.:

30 °C

Remarks on result:

other: Compound 5

Type:

log Pow

Partition coefficient:

1.7

Temp.:

30 °C

Remarks on result:

other: Compound 6

Type:

log Pow

Partition coefficient:

3

Temp.:

30 °C

Remarks on result:

other: Compound 7

Determination of the dead time T0 by inert substance which are not retained by the column:

The stock solution was prepared in mobile phase. And, then, formamide solution was at 100 mg/L in the mobile phase. The determination of the dead time was carried out with formamide and the measuremenst were performed in three replicates.

The dead time T0 by Formamide which is not retained by the column is 2.605 min.

Reference items and determination of the retention times tR:

Each reference item stock solution was prepared separately in mobile phase and then, the reference items were mixed and diluted in the mobile phase except 2-butanone which was injected individually.

The variations in the retention times of reference items are very weak. Therefore, a stable configuration of the HPLC can be assumed.

Using the capacity factor and the partition coefficient of reference items, the following calibration curve was obtained and used for the calculation of logPow of test item:

Equation : Logk = 0.5046 * logPow – 0.7950 R2=95.5% = 0.955 or r= √0.955 = 0.977

Determination of the retention times tR for the test item and validity criteria:

An aliquot of 0.21 g of test item was accurately weighted into a 10-mL volumetric flask and filled with the mobile phase,

The test item was prepared at the concentration of 21 g/L in three replicates diluted in the mobile phase.

For the compound 1, the retention time is lower than the retention time of Formamide (2.605 min). The calculation of logPow can not be considered in these testing conditions.

For the compound 2 (C2), the partition coefficient (log Pow) was considered to be 0.4 within a range ± 0.1 log unit at 30 ± 1°C.

For the compound 3 (C3), the partition coefficient (log Pow) was considered to be 0.6 within a range ± 0.1 log unit at 30 ± 1°C.

For the compound 4 (C4), the partition coefficient (log Pow) was considered to be 1.5 within a range ± 0.1 log unit at 30 ± 1°C.

For the compound 5 (C5), the partition coefficient (log Pow) was considered to be 1.7 within a range ± 0.1 log unit at 30 ± 1°C.

For the compound 6 (C6), the partition coefficient (log Pow) was considered to be 1.7 within a range ± 0.1 log unit at 30 ± 1°C.

For the compound 7 (C7), the partition coefficient (log Pow) was considered to be 3.0 within a range ± 0.1 log unit at 30 ± 1°C.

Conclusions:

Under the chromatographic conditions specified, the test substance eluted as 7 peaks on the ultraviolet (UV) detector. The corresponding Log Pow for the test substance by UV ranged from unretained (< formamide) to a value of 3.0.
The partition coefficient (log Pow) of test item “Methyl BAPO” was considered to be comprised between 0.4 and 3.0 and lower than 0.3 (one compound).

Executive summary:

The aim of this study was to estimate the partition coefficient (LogPow) by HPLC method on the test item “Methyl BAPO” according to the OECD 117 guideline.

Under the chromatographic conditions specified, the test substance eluted as 7 peaks on the ultraviolet (UV) detector. The corresponding Log Pow for the test substance by UV ranged from unretained (< formamide) to a value of 3.0.

The partition coefficient (log Pow) of test item “Methyl BAPO” was considered to be comprised between 0.4 and 3.0 and lower than 0.3 (one compound) within a range ± 0.1 log at 30 ± 1°C under the analytical conditions.

Description of key information

Under the chromatographic conditions specified, the test substance eluted as 7 peaks on the ultraviolet (UV) detector. The corresponding Log Pow for the test substance by UV ranged from unretained (< formamide) to a value of 3.0.

The partition coefficient (log Pow) of test item “Methyl BAPO” was considered to be comprised between 0.4 and 3.0 and lower than 0.3 (one compound) within a range ± 0.1 log at 30 ± 1°C under the analytical conditions.

Additional information

A fully reliable experimental study, conducted according to OECD 117 guideline and under GLP, is available. It is considered as a key study.