Cyclohexanamine, 4,4’-methylenebis[N-(2,2-dimethyl-3-(4-morpholinyl)propylidene)]-

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 2021-04-20 to 2021-04-21

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: EU Method A.24 (Partition Coefficient - HPLC Method)

Version / remarks:

2016

Deviations:

no

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

2004

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

< 1

Temp.:

25 °C

Remarks on result:

other: Test item outside of calibration.

The three calibration series and three test item series were measured alternately.

The capacity factors (k) were calculated from the dead time and retention times of the reference items. The log k data of the reference items were plotted against their log Pow values. The equation of the curve fitted to the calibration points is as follows:

log Pow = 2.54 × log k + 1.87   (r²= 0.944)

 

Table 1. Measured and calculated data of the reference items
Chemical name	log Pow OECD 117	Retention time (min)	log k Calculated	log Pow Calculated		DlogPow log unit	Accuracy log unit
Thiourea	-	2.25	-
		2.25
		2.25
		2.24
		2.25
		2.25
	Mean	2.25
	CV%	0.2
Acetanilide	1.0	3.06	-0.442		0.7	0.00	0.3
		3.06	-0.442		0.7
		3.06	-0.442		0.7
		3.06	-0.442		0.7
		3.06	-0.442		0.7
		3.06	-0.442		0.7
	Mean	3.06	-0.442		0.7
	CV%	0.0	-		-
Benzonitrile	1.6	4.39	-0.021		1.8	0.02	0.2
		4.37	-0.025		1.8
		4.39	-0.021		1.8
		4.38	-0.023		1.8
		4.40	-0.019		1.8
		4.40	-0.019		1.8
	Mean	4.39	-0.021		1.8
	CV%	0.3	-		-
Acetophenone	1.7	4.32	-0.036		1.8	0.02	0.1
		4.33	-0.033		1.8
		4.29	-0.042		1.8
		4.31	-0.038		1.8
		4.32	-0.036		1.8
		4.31	-0.038		1.8
	Mean	4.31	-0.037		1.8
	CV%	0.3	-		-
Methyl benzoate	2.1	5.38	0.144		2.2	0.03	0.1
		5.44	0.152		2.3
		5.43	0.151		2.3
		5.39	0.145		2.2
		5.39	0.145		2.2
		5.36	0.141		2.2
	Mean	5.40	0.146		2.2
	CV%	0.6	-		-

 

Chemical name	log Pow OECD 117	Retention time (min)	log k Calculated	log Pow Calculated	DlogPow log unit	Accuracy log unit
Ethyl benzoate	2.6	7.05	0.330	2.7	0.02	0.1
		7.06	0.330	2.7
		7.07	0.331	2.7
		7.01	0.326	2.7
		6.99	0.324	2.7
		7.02	0.327	2.7
	Mean	7.03	0.328	2.7
	CV%	0.4	-	-
Naphthalene	3.6	10.43	0.561	3.3	0.04	0.3
		10.44	0.562	3.3
		10.70	0.575	3.3
		10.65	0.573	3.3
		10.63	0.571	3.3
		10.63	0.571	3.3
	Mean	10.58	0.569	3.3
	CV%	1.1	-	-

 

Table. Measured and calculated data of SIKA Hardener MD (SIKA Härter MD)
Test Item name	Retention time (min)		log k	log Pow	Pow	Repeatability log unit
			Calculated
SIKA Hardener MD (SIKA Härter MD)	2.50		-0.951			-
	2.50		-0.951
	2.49		-0.969
	2.49		-0.969
	2.49		-0.969
	2.49		-0.969
Mean	2.49		-0.963	< 1.0	-	-

In the course of this study the partition coefficient (Pow) of SIKA Hardener MD (SIKA Härter MD) was determined using high performance liquid chromatography. The determined log Pow: < 1.0

Conclusions:

The log Pow of the test item was determined to be < 1.0.

Executive summary:

An experimental study was performed to determine the water-octanol partition coefficient according to Regulation (EC) No 440/2008 Method A.24. and OECD Test Guidelines 117 using the HPLC method. Three series of the above reference solutions and the test item solution were measured with two parallel injections, each alternately. The retention times were determined. For the determination of the dead time Thiourea solution was injected three times with two parallel injections each time. The capacity factors, k were calculated from the retention times and the dead time. The log k data of the reference items were plotted against their log Pow values. The capacity factor of the test item was outside of the calibration range. Therefore it is concluded that the log Pow is < 1.0.

Description of key information

The log Pow of the test item was determined to be < 1.0.

Additional information

An experimental study was performed to determine the water-octanol partition coefficient according to Regulation (EC) No 440/2008 Method A.24. and OECD Test Guidelines 117 using the HPLC method. Three series of the above reference solutions and the test item solution were measured with two parallel injections, each alternately. The retention times were determined. For the determination of the dead time Thiourea solution was injected three times with two parallel injections each time. The capacity factors, k were calculated from the retention times and the dead time. The log k data of the reference items were plotted against their log Pow values. The capacity factor of the test item was outside of the calibration range. Therefore it is concluded that the log Pow is < 1.0.

Remark: The substance consists of two imine groups which are known to be hydrolytically unstable. The chromatogram shows two additional peaks which where not analysed. The two peaks indicate hydrolysis of the test item.