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Physical & Chemical properties

Solubility in organic solvents / fat solubility

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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 [%]  17.51  14.32  16.73
 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 [%]  17.51  14.32  16.73
 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.