N,N-bis(2-hydroxyethyl)-3-[(C16-18)alkoxy]-1-propanamine

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental starting date: 03 January 2017 Experimental completion date: 10 June 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.23 Partition Coefficient (1-Octanol/Water): Slow-Stirring Method

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

slow-stirring method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Appearance/Physical state: Amber colored gelatinous solid
Batch: E00268-014-212
Purity: 100%
Expiry date: 10 June 2018
Storage conditions: Room temperature in the dark
Sampling conditions: Heating to 50 to 80 °C was utilized to enable sampling of test item for some tests.

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

5.2

Temp.:

25 °C

Remarks on result:

other: Overall log10 Pow: >5.2 Partition coefficient (Pow): >1.74 x 105

Details on results:

Overall log10 Pow: >5.2 Partition coefficient (Pow): >1.74 x 105

The mean peak areas obtained for the stock solution analysis, organic phase analysis and aqueous phase analysis are shown in the attached tables: Table 13 – Organic Phase Analysis, Table 14 – Aqueous Phase Analysis, Table 15 – Stock Analysis,

 

The sampling times, analyzed concentration (mg/L) of the respective phases, aqueous phase pH and resulting partition coefficient values (as log10 Pow) are shown in the attached tables. Table 16 – Vessel 1, Table 17 – Vessel 2 & Table 18 – Vessel 3

Validation

The linearity of the detector response with respect to concentration was assessed over relevant concentration ranges for each matrix analyzed during the determination of partition

coefficient. In each case, the results were satisfactory with a correlation coefficient of at least 0.99 being obtained. The results are summarized in the following table:

Analysis	Matrix	Nominal Concentration range (mg/L)	Correlation Coeffcient
Stock solution and organic phases	Methanol: water saturated n-octanol: purified water (50999.5: 0.5: 49000 v/v)	0.15 to 0.225	=0.998
Aqueous phases	Methanol: purified water (1:1 v/v)	0.00625 to 0.075	=0.995

 

Discussion

The solubility of the test item in n-octanol was confirmed to be greater than a nominal concentration of 70 g/L. Therefore the nominal stock solution concentration of 40 g/L satisfied the guideline requirements of being below 70% saturation concentration in n-octanol and below 0.1 M.

All peaks detected for the test item on analysis of the aqueous phase samples were less than the lowest standard within the calibration curve. Therefore a limit value has been used for the aqueous phase concentrations to allow calculation of the partition coefficient results. This limit value originated from the lowest nominal standard used within the aqueous linearity, run with the samples, with the concentration factor of the samples applied (2), supplying a limit of 0.0125 mg/L. The use of a limit value therefore gives a lower limit of Pow.

Conclusions:

The partition coefficient (Pow) of the test item has been determined at a test temperature of 25.0 ± 0.5°C, using the slow-stirring method. The results are summarized in the following table:

Vessel 1 2 3
Log10 Pow >5.24 >5.30 >5.33

Overall log10 Pow : >5.2
Partition coefficient (Pow) : >1.74 x 105

Executive summary:

The Partition Coefficient was found to be greater than 1.74 x 105at 25.0 ± 0.5 °C, log10Pow>5.2, carried out by a slow-stirring method, using a procedure designed to be compatible with Method A.23, 24 January 2014, and Method 123 of the OECD Guidelines for Testing of Chemicals, 23 March 2006.

Description of key information

The partition coefficient (Pow) of the test item has been determined at a test temperature of 25.0 ± 0.5°C, using the slow-stirring method. The results are summarized in the following table:

Table 21

Vessel	1	2	3
Log 10 Pow	>5.24	>5.30	>5.33

 Overall log 10 Pow: > 5.2 Partition coefficient (Pow) : >1.74 x105

Key value for chemical safety assessment

Log Kow (Log Pow):

5.2

at the temperature of:

25 °C

Additional information

The Partition Coefficient was found to be greater than 1.74 x 105 at 25.0 ± 0.5 °C, log10 Pow >5.2, carried out by a slow-stirring method, using a procedure designed to be compatible with Method A.23, 24 January 2014, and Method 123 of the OECD Guidelines for Testing of Chemicals, 23 March 2006.