Zinc bis(dibenzyldithiocarbamate)

Solubility in organic solvents / fat solubility

Link to relevant study record(s)

Reference

Endpoint:

solubility in organic solvents / fat solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

10 Aug 2021 to 28 Aug 2021

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: OECD TG 105

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

other: EPA OPPTS 830.7840

Version / remarks:

1998

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Key result

Medium:

n-octanol

Remarks:

1-OCTANOL

Solubility:

44.7 mg/L

Temp.:

20 °C

Details on results:

An overview of the results is provided in Table 1 in 'Any other information on results incl. tables'
The mean measured 1-octanol-soluble test substance concentrations for saturation samples shaken and equilibrated at 30 ± 1.0°C for 48 and 72 hours prior to 24 hour equilibration at 20 ± 0.5°C were well within the 15% difference criterion of the protocol therefore the definitive test was terminated. Based on the results for the 48 and 72 hours sampling intervals the mean 1-octanol solubility for test substance at 20 ± 0.5ºC was 44.7 ± 0.88 mg a.i./L (CV = 2.0%; N = 6).

Table 1. 1-Octanol Solubility Results for the test substance at 20°C

Sample Number	Time at 30ºC (hrs.)		Concentrations of the test substance
		Nominal (mg/mL)	Measured (mg a.i./L) 2	Mean Measured ± SD (mg a.i./L) 1,2	% Difference 2,3
D1-A	24	0.300	52.6	52.6 ± 0.058 (CV = 0.11%)
D1-B	24	0.300	52.6
D1-C	24	0.300	52.7
D2-A	48	0.300	44.1	43.9 ± 0.21 (CV = 0.47%)	18%
D2-B	48	0.300	44.0
D2-C	48	0.300	43.7
D3-A	72	0.300	45.6	45.4 ± 0.53 (CV = 1.2%)	3.3%
D3-B	72	0.300	45.8
D3-C	72	0.300	44.8
Overall Mean (48 and 72 hrs.) 2 =			44.7
SD 1,2 = CV 1,2 =			0.88 2.0%
N 1 =			6

1 SD = Standard Deviation; CV = Coefficient of Variation; N = Number of Measurements.

2 Results were generated using Agilent OpenLab CDS Rev. A.01.05. and Microsoft Excel 2016 in full precision mode. Manual calculations may differ slightly.

Conclusions:

The mean 1-octanol solubility for the test substance at 20 ± 0.5ºC was 44.7 ± 0.88 mg a.i./L using the shake flask method in accordance with OECD TG 105 and EPA OPPTS 830.7840, and in compliance with GLP.

Executive summary:

The solubility of the test substance in 1-octanol was determined using the shake flask method in accordance with OECD TG 105 and EPA OPPTS 830.7840, and in compliance with GLP. The study was carried out at a temperature of 20ºC. A preliminary physical dissolution test was conducted to estimate the 1-octanol solubility (prior to any definitive testing). A known amount of the test substance was weighed out and increasing volumes of ambient temperature 1-octanol were added to the test vessel to determine the approximate 1-octanol solubility. The definitive test consisted of shaking an excess amount of test substance with 1-octanol at an elevated temperature (30 ˚C) for 24, 48 and 72 hours followed by equilibration at 20 ˚C for 24 hours prior to analysis and quantitation of soluble test substance in the supernatant of the saturated solution.

High performance liquid chromatography with diode array detection (HPLC/DAD) was used to analyse the concentration of the test substance. Saturation sub-samples were prepared for analysis by centrifugation followed by dilution of the supernatant into the calibration range of the HPLC/DAD methodology with dimethylformamide (DMF).

The mean measured 1-octanol-soluble test substance concentrations for saturation samples shaken and equilibrated at 30 ± 1.0°C for 48 and 72 hours prior to 24 hour equilibration at 20 ± 0.5°C were well within the 15% difference criterion of the protocol therefore the definitive test was terminated. Based on the results for the 48 and 72 hours sampling intervals the mean 1-octanol solubility for the test substance at 20 ± 0.5ºC was 44.7 ± 0.88 mg a.i./L.

Description of key information

The mean 1-octanol solubility for the test substance at 25 ºC was 44.7 ± 0.88 mg/L using the shake flask method in accordance with OECD TG 105 and EPA OPPTS 830.7840, and in compliance with GLP.

Key value for chemical safety assessment

Solubility in organic solvents at 20°C:

44.7 mg/L

Additional information

One solubility in organic solvent study is available for the test substance. The solubility of the test substance in 1-octanol was determined using the shake flask method in accordance with OECD TG 105 and EPA OPPTS 830.7840, and in compliance with GLP. The study was carried out at a temperature of 20ºC. An excess amount of the test substance with 1-octanol was shaken at an elevated temperature (30 ˚C) for 24, 48 and 72 hours followed by equilibration at 20 ˚C for 24 hours. The soluble test substance in the supernatant of the saturated solution was analysed and quantitated using an HPLC/DAD. Saturation sub-samples were prepared for analysis by centrifugation followed by dilution of the supernatant into the calibration range of the HPLC/DAD methodology with dimethylformamide (DMF). Based on the results for the 48 and 72 hours sampling intervals, the mean 1-octanol solubility for the test substance at 20 ± 0.5 ºC was 44.7 ± 0.88 mg a.i./L.