1,3-Propanediaminium, 2-hydroxy-N1,N1,N1,N3,N3-pentamethyl-N3-[3-[(2-methyl-1-oxo-2-propen-1-yl)amino]propyl]-, chloride (1:2)

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 26 September 2016 To 24 January 2017

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

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - 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:

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Controlled room temperature (15-25°C, below 70 RH%)

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Reference substances and test item were dissolved in acetonitrile. Concentration of these stock solutions was about 1 mg/mL. The stock solutions were diluted with mobile phase 100 fold.

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

< 1

Temp.:

25 °C

Remarks on result:

other: estimated

The capacity factor of the test item was lower than the one of the first eluted reference substance.

Therefore, the regression curve (obtained with the reference substances) cannot be used to determine the test item log Kow.

The lowest log Kow of the reference substances used is 1.0. So we can only conclude that the log Kow of the test item is lower that this value.

Conclusions:

The estimated log Pow of the test item at 25°C is lower than 1.0

Executive summary:

This study has been performed in accordance with the OECD 117 Guideline. The test method uses HPLC for determination of the partition coefficient.

Partition coefficient is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system. In this case there is a partitioning between the mobile solvent phase and the hydrocarbon stationary phase. This enables the relationship between the retention time on a reverse-phase column and the n-octanol/water partition coefficient to be established.

The capacity factor k and log Pow of the test item were calculated based on the calibration data obtained with the reference substances.

The capacity factor of the test item is lower than the one of the first eluted reference substance. This result shows that log Pow of the test item was beyond the calibrated range, therefore an accurate value of log Pow could not be given.

The estimated log Pow: < 1.0

Description of key information

The Partition Coefficient of the test item was determined according to recognized guideline (EU Method A.8 and OECD guideline 117) and under GLP. No deviation from the guideline was observed during the test.

Additional information

Retention time of the test item is lower than the one of the first eluting standard, therefore an accurate value of log Pow could not be given. The estimated log Pow of the test item is lower than 1.0.