Reaction mass of 6,6'-(2,2-Propanediyl)bis(3-phenyl-3,4-dihydro-2H-1,3-benzoxazine) and N-({4-[2-(3-phenyl-3,4-dihydro-2H-1,3-benzoxazin-6-yl)propan-2-yl]phenoxy}methyl)aniline

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

This study was conducted between 20 September 2016 and 20 January 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: The study is considered to be a reliability 1 as it has been conducted according to OECD TG 117 (HPLC method) and in compliance with GLP.

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

13 April 2004

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

Version / remarks:

EC 440/2008 of 30 May 2008

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:

I

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

>= 0.969 - ca. 6.5

Temp.:

20 °C

Remarks on result:

other: pH value is not available

Details on results:

Log 10 Pow:0.969 to >6.5 (95.8% having a log10Pow of 4.46).
Partition coefficient 9.31 to >3.16 x 106 (95.8% having a partition coefficient of 2.9 x E04),
pH

Calibration The retention times of the dead time and the retention times, capacity factors (k') and log10 Pow values for the reference standards are shown in the following tables:

Dead Time	Retention Time (mins)		Mean Retentions Time (mins)
	Injection 1	Injection 2
Thiourea	1.837	1.837	1.837

Standard	Mean retention Time (mins, n=2)	Capacity factor (k')	Log10 k'	Log10 Pow
2 -Butazone	2.043	0.112	-0.949	0.3
Benzene	2.609	0.421	-0.373	2.1
Toluene	3.003	0.635	-0.197	2.7
Naphthalene	3.280	0.786	-0.105	3.6
Phenanthrene	4.422	1.41	0.148	4.5
DDT	9.577	4.21	0.625	6.5

Peak Number	Injection	Retention Time (mins)	Capacity factor (k')	Log10 k'	Log10 Pow	Average Log10 Pow	% Area
1	1	2.196	0.196	-0.708	0.982	0.969	0.19
	2	2.191	0.193	-0.714	0.957
2	1	2.672	0.455	-0.342	2.47	2.48	0.22
	2	2.677	0.458	-0.339	2.48
3	1	3.003	0.635	-0.197	3.06	3.06	1.37
	2	3.003	0.635	-0.197	3.06
4	1	4.422	1.41	0.148	4.47	4.46	95.8
	2	4.417	1.40	0.148	4.46
5	1	16.327	7.89	>0.625	>6.5	>6.5	2.45
	2	16.283	7.87	>0.625	>6.5

Range log10 Pow: 0.969 to >6.5 (95.8% having a log10Pow of 4.46)

Partition coefficient: 9.31 to >3.16 x 106 (95.8% having a partition coefficient of2.9 x 104)

The result from the preliminary test indicated that the HPLC method was suitable for determination of partition coefficient for this test item.

Conclusions:

The partition coefficient of the test item has been determined as log P 0.969 to > 6.5 (95.8% having a log10 Pow of 4.46) under OECD TG 117 (HPLC method) in compliance with GLP.

Executive summary:

The partition coefficient of the test item has been determined as log P 0.969 to > 6.5 (95.8% having a log10 Pow of 4.46) under OECD TG 117 (HPLC method).

Description of key information

The partition coefficient of the test item has been determined as log P  0.969 to > 6.5 (95.8% having a log 10 Pow of 4.46) under OECD TG 117 (HPLC method) in compliance with GLP.