ethyl (3-benzoyl-2,4,6-trimethylbenzoyl)(phenyl)phosphinate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

09 August 2019

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)

Version / remarks:

13 April 2004

Deviations:

no

Qualifier:

according to guideline

Guideline:

other: EU Method A.24 (Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method)

Version / remarks:

01 March 2016

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:

No correction for purity of the test material was applied.

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

3.69

Remarks on result:

other: Temperature and pH not reported.

Details on results:

- Result of the main test
The three calibration series (reference solutions) and three test material series were measured using the standard conditions. The partition coefficient Pow was determined based on a calibration curve using 6 reference substances.
The capacity factors “k” were calculated from the dead time and retention times of the reference substances. The log Pow data of the reference substances were plotted against their log k values.
The equation of the curve fitted to the calibration points is as follows:
log Pow = 3.1714 × log k + 1.6036 (R² = 0.9926)
The calibration curve met the acceptance criteria between log Pow 2.1 and 5.7.

Measured and Calculated Data of the Reference Substances

Chemical Name	LogPow	Retention Time (min)	Log k	Repeatability ¿ log Pow Log Unit	Reproducibility Log Unit	Log Pow
	OECD 117		Calculated			Calculated
Thiourea		2.29	For determination of dead time
		2.29
		2.29
		2.29
		2.28
		2.29
	Mean	2.29
	RSD%	0.18
Methyl benzoate	2.1	5.68	0.171	0.008	0.05	2.1
		5.68	0.171			2.1
		5.68	0.171			2.1
		5.68	0.171			2.1
		5.67	0.170			2.1
		5.69	0.172			2.1
	Mean	5.68	0.171			2.1
	RSD%	0.11	-			0.12
Ethyl benzoate	2.6	7.52	0.359	0.005	0.14	2.7
		7.52	0.359			2.7
		7.52	0.359			2.7
		7.52	0.359			2.7
		7.51	0.358			2.7
		7.53	0.360			2.7
	Mean	7.52	0.359			2.7
	RSD%	0.08	-			0.06
Benzophenone	3.2	8.68	0.446	0.004	0.18	3.0
		8.68	0.446			3.0
		8.68	0.446			3.0
		8.69	0.447			3.0
		8.68	0.446			3.0
		8.70	0.447			3.0
	Mean	8.68	0.446			3.0
	RSD%	0.10	-			0.06
Naphthalene	3.6	11.52	0.606	0.004	0.08	3.5
		11.51	0.605			3.5
		11.52	0.606			3.5
		11.52	0.606			3.5
		11.52	0.606			3.5
		11.54	0.607			3.5
	Mean	11.52	0.606			3.5
	RSD%	0.09	-			0.04
Phenanthrene	4.5	21.80	0.931	0.001	0.06	4.6
		21.80	0.931			4.6
		21.80	0.931			4.6
		21.81	0.931			4.6
		21.81	0.931			4.6
		21.82	0.931			4.6
	Mean	21.81	0.931			4.6
	RSD%	0.04	-			0.01
Triphenylamine	5.7	47.43	1.295	0.002	0.01	5.7
		47.43	1.295			5.7
		47.45	1.295			5.7
		47.46	1.295			5.7
		47.48	1.295			5.7
		47.50	1.295			5.7
	Mean	47.46	1.295			5.7
	RSD%	0.06	-			0.01

Measured and Calculated Data of the Test Material

Chemical Name	Retention Time (min)	Log k	Log Pow	Repeatability ¿ log Pow Log Unit
		Calculated Data
Test material	12.71	0.658	3.69	0.003
	12.71	0.658	3.69
	12.72	0.659	3.69
	12.73	0.659	3.69
	12.72	0.659	3.69
	12.72	0.659	3.69
Mean	12.72	0.659	3.69
RSD%	0.06	-	0.03
Conf. (95 %)	0.0079	-	± 0.001

 

Conclusions:

The capacity factor k and log Pow for the test material were calculated based on the calibration data obtained with the reference substances. The estimated log Pow of the detected peak of the test material, based on the chromatograms, is 3.69 ± 0.001 with 95 % confidence interval.

Executive summary:

The octanol-water partition coefficient of the test material was determined in a study which was conducted in accordance with the standardised guidelines OECD 117 and EU Method A.24, under GLP conditions, following the HPLC method.

Under the conditions of the study, the log Pow of the test material was estimated to be 3.69 ± 0.001 with 95 % confidence interval.

Description of key information

The octanol-water partition coefficient of the test material was determined in a study which was conducted in accordance with the standardised guidelines OECD 117 and EU Method A.24, under GLP conditions, following the HPLC method.

The capacity factor k and log Pow for the test material were calculated based on the calibration data obtained with the reference substances. The estimated log Pow of the detected peak of the test material, based on the chromatograms, is 3.69 ± 0.001 with 95 % confidence interval.

Key value for chemical safety assessment

Log Kow (Log Pow):

3.69