1-amino-4-hydroxy-2-(2-phenoxyethoxy)anthraquinone

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

14 June 2021

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)

Version / remarks:

1996

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

Type:

Pow

Partition coefficient:

79 727

Temp.:

25 °C

Remarks on result:

other: no information on pH reported

Key result

Type:

log Pow

Partition coefficient:

4.9

Temp.:

25 °C

Remarks on result:

other: no information on pH reported

Details on results:

The three calibration series and three test material series were measured alternately. The partition coefficient Pow was determined based on a calibration curve using eight reference substances. The capacity factors (k) were calculated from the dead time and retention times of the reference substances. The log k data of the reference substances were plotted against their log Pow values (please see the attached Figure presenting the resultant calibration curve).

The equation of the curve fitted to the calibration points is as follows:
log k = 0.2898 * log Pow – 0.7688 (Rsq = 0.9901)

Mean of the measured and calculated data of the reference substances

Chemical name	log Pow OECD 117	Retention time (min)	log k calculated	log Pow calculated
Thiourea	-	1.438	-	-
4-Acetylpyridine	0.5	1.713	-0.717	0.2
Acetophenone	1.7	2.178	-0.288	1.7
Methyl benzoate	2.1	2.553	-0.11	2.3
Ethyl benzoate	2.6	3.095	0.062	2.9
Naphthalene	3.6	4.181	0.281	3.6
Phenanthrene	4.5	6.735	0.566	4.6
Triphenylamine	5.7	12.957	0.904	5.8
4,4’-DDT	6.5	17.035	1.035	6.2

 

Mean of the measured and calculated data of the test material

Retention time (min)	log k calculated	log Pow	Pow	Repeatability log unit
7.883	0.652	4.90	79727	0.002

Conclusions:

Under the conditions of the study the partition coefficient (log Pow) of the test material was determined to be 4.90.

Executive summary:

The partition coefficient of the test material was assessed according to OECD Test Guideline 117 and EPA OPPTS 830.7570 and in compliance with GLP using the (n-octanol/water) HPLC method. Using this method, the three calibration series and three test material series were measured alternately. The partition coefficient Pow was determined based on a calibration curve using eight reference substances.

Under the conditions of the study the partition coefficient (log Pow) of the test material was determined to be 4.90.

Description of key information

Under the conditions of the study the partition coefficient (log Pow) of the test material was determined to be 4.90.

Key value for chemical safety assessment

Log Kow (Log Pow):

4.9

at the temperature of:

25 °C

Additional information

The partition coefficient of the test material was assessed according to EU Method A. 8, OECD Test Guideline 117 and EPA OPPTS 830.7570 and in compliance with GLP using the (n-octanol/water) HPLC method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

Using this method, the three calibration series and three test material series were measured alternately. The partition coefficient Pow was determined based on a calibration curve using eight reference substances.

Under the conditions of the study the partition coefficient (log Pow) of the test material was determined to be 4.90.