Zinc di(benzimidazol-2-yl) disulphide

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

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:

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

Version / remarks:

August 1996

Deviations:

no

Qualifier:

according to guideline

Guideline:

other: 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:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: OUCHI SHINKO CHEMICALS INDUSTRIAL CO., LTD.; 608011
- Expiration date of the lot/batch: August 31, 2018

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Keep to the storeroom with suitable ventilation. Avoid a fire, direct sunlight and wet. Store at room temperature.
- Stability under test conditions: stable

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

0.95

Temp.:

25 °C

Remarks on result:

other: pH value not given

Key result

Type:

Pow

Partition coefficient:

9

Temp.:

25 °C

Remarks on result:

other: pH value not given

Details on results:

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 substances. The log k data of the reference substances were plotted against their log Pow values. The equation of the curve fitted to the calibration points is as follows: log k = 0.819 * log Pow - 0.837 (r2= 0.92)

Table 1: Measured and calculated data of Zinc di(benzimidazol-2-yl) disulphide

Test Item name	Retention time (min)	log k	log Pow	Pow	Repeatability log unit
		Calculated
Test item	3.85	-0.056	0.95	9.0	0.00
	3.85	-0.056	0.95	9.0
	3.85	-0.056	0.95	9.0
Mean	3.85	-0.056	0.95	9.0	-

 

Conclusions:

A partition coefficient of 9 corresponding to a log Pow of 0.95 was determined for the test substance.

Executive summary:

The partition coefficient was determined with High Performance Liquid Chromatography (HPLC) according to OECD guideline 117, EU method A. 24 and OPPTS 830.7570 (TOXICOOP, 2018). Eight reference substances (Thiourea ,2-Butanone, Acetanilide, Acetophenone, Cinnamyl alcohol, Methyl benzoate, 4-Chlorophenol, Toluene) were used in the study. The reference substances were dissolved in acetonitrile at ca. 1 mg/mL concentration level. These stock solutions were diluted with the mobile phase, resulting in 10 µg/mL concentration for the reference samples and 5 µg/mL for the test item. In case of 2-Butanone the stock solution was injected directly. Three series of the above reference solutions and the test item solution were measured alternately. The retention times were determined. For the determination of t0 (t0 = retention time of the unretarded component) Thiourea solution was injected three times. A partition coefficient of 9 corresponding to a log Pow of 0.95 was determined for the test substance.

Description of key information

A partition coefficient of 9 corresponding to a log Pow of 0.95 was determined for the test substance.

Key value for chemical safety assessment

Log Kow (Log Pow):

0.95

at the temperature of:

25 °C

Additional information

The partition coefficient was determined with High Performance Liquid Chromatography (HPLC) according to OECD guideline 117, EU method A. 24 and OPPTS 830.7570 (TOXICOOP, 2018). Eight reference substances (Thiourea ,2-Butanone, Acetanilide, Acetophenone, Cinnamyl alcohol, Methyl benzoate, 4-Chlorophenol, Toluene) were used in the study. The reference substances were dissolved in acetonitrile at ca. 1 mg/mL concentration level. These stock solutions were diluted with the mobile phase, resulting in 10 µg/mL concentration for the reference samples and 5 µg/mL for the test item. In case of 2-Butanone the stock solution was injected directly. Three series of the above reference solutions and the test item solution were measured alternately. The retention times were determined. For the determination of t0 (t0 = retention time of the unretarded component) Thiourea solution was injected three times. A partition coefficient of 9 corresponding to a log Pow of 0.95 was determined for the test substance.

The logPow was additionally calculated using KOWWIN v1.68 as part of EPISuite v4.11 from US Environmental Protection Agency. Using KOWWIN v1.68 the log Kow of the test item was calculated to be 2.1 at 25 °C (EPI Suite, 2014).