Zinc bis(N-ethyl-N-phenyldithiocarbamate)

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

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: REACH regulation EC/1907/2006

Deviations:

no

Qualifier:

according to guideline

Guideline:

other: OECD Guidelines for Testing of Chemicals, Section 1 – Physical-Chemical Properties No: 105

Deviations:

no

Qualifier:

according to guideline

Guideline:

other: Council Regulations EC No 440/2008, Guideline Part A – Methods for the Determination of Physico-Chemical Properties, A.6.

Principles of method if other than guideline:

To determine the octanol solubility of the test item, the shake flask method according to OECD Guideline 105 and EC Guideline A.6 can be used.
In a preliminary test, the octanol solubility of the test item was found to be approximately 186 mg/L.
For the main test, a quantity of the test item necessary for saturation is dissolved in octanol. The vessels are stoppered and stirred on a magnetic stirrer for 24 h, 48 h and 72 h at 30 °C in a temperature controlled water bath. Following this procedure, the temperature is reduced to 20 °C and is kept in the temperature controlled water bath for another 24 h. After phase separation by filtration with a disposable syringe filter and/or centrifugation, the concentration of the test item in the aqueous test solutions is determined.
Remark: Since the test item is not soluble in the most organic solvents in sufficient quantity the concentration of the test item in octanol were determined by Zn analysed via ICP-MS.

GLP compliance:

yes

Specific details on test material used for the study:

Batch number: CN61204501
Date of receipt: 2017-03-02
Expiry date: 2017-12-04 (the test item was not used after expiry date)

Medium:

n-octanol

Solubility:

160 mg/L

Temp.:

20 °C

Remarks on result:

other: Flask A

Medium:

n-octanol

Solubility:

196 mg/L

Temp.:

20 °C

Remarks on result:

other: Flask B

Medium:

n-octanol

Solubility:

168 mg/L

Temp.:

20 °C

Remarks on result:

other: Flask C

Test substance stable:

yes

Details on results:

The results are based on different Zn contents.
In a preliminary test the concentration found was approx. 180 mg/L. Therefore the concentration for the main test was set to 900 mg/L. This corresponds to 5 times the concentration found in the pretest.

Results of single determinations and mean value

Octanol solubility test at 20 °C	Concentration of Zn in octanol solution 1/2	Concentration of Zn in octanol solution 2/2	Mean value
Flask A [mg/kg]	36	36	36
Flask B [mg/kg]	28	35	32
Flask C [mg/kg]	35	35	35
Overall mean	-	-	34

The relative standard deviation between the single determinations is < 15 %. The validity criteria have therefore been met.

The determined concentrations in mg/kg were used to determine the octanol solubility in mg/L using a density of octanol of 0.817 kg/L.

The content of Zn in the test item was 17.5 %.

The test item has a theoretical concentration of Zn of 14.3 %.

Additionally ZnO could be determined and the content was calculated to be 4 %. The purity of the test item was 95.5 %. Therefore the corrected Zn content is 16.7 %.

Conclusions:

By means of different calculation approaches the octanol solubility of Vulkacit P Extra N was found to vary between 160 and 196 mg/L at 20°C according to OECD guideline 105.

Executive summary:

The octanol solubility of the test item Vulkacit P Extra N was determined based on the shake flask method at 20 °C according to OECD guideline 105.

The test item concentration in the octanol test solutions was obtained by determination of the zinc (Zn) content via ICP-MS analysis.

By means of different calculation approaches the octanol solubility of the test item was found to vary between 160 and 196 mg/L:

Content of Zn used for evaluation [%]	17.5^1	14.3^2	16.7^3
Determined concentration of the test item in the octanol solutions [mg/L]	160	196	168

^{1 Overall Zn content}

^{2 Theoretical Zn content}

^{3 Overall Zn content corrected by determined purity (95.5 %)}

In a preliminary test, the octanol solubility of the test item was found to be approximately 186 mg/L.

Since the test item is not soluble in the most organic solvents in sufficient quantity the concentration of the test item in octanol were determined by Zn analysed via ICP-MS.

Description of key information

The octanol solubility of the test item Vulkacit P Extra N was determined based on the shake flask method at 20 °C according to OECD guideline 105.

The test item concentration in the octanol test solutions was obtained by determination of the zinc (Zn) content via ICP-MS analysis.

By means of different calculation approaches the octanol solubility of the test item was found to vary between 160 and 196 mg/L:

Content of Zn used for evaluation [%]	17.5^1	14.3^2	16.7^3
Determined concentration of the test item in the octanol solutions [mg/L]	160	196	168

^{1 Overall Zn content}

^{2 Theoretical Zn content}

^{3 Overall Zn content corrected by determined purity (95.5 %)}

In a preliminary test, the octanol solubility of the test item was found to be approximately 186 mg/L.

Since the test item is not soluble in the most organic solvents in sufficient quantity the concentration of the test item in octanol were determined by Zn analysed via ICP-MS.

Key value for chemical safety assessment

At the temperature of:

20 °C

Solubility in organic solvents at 20°C:

160 mg/L

Additional information

Octanol solubility varies between 160 and 196 mg/L.