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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
Study period:
1991-06-05 to 1991-06-27
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP, Guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 116 (Fat Solubility of Solid and Liquid Substances)
Version / remarks:
adopted May 12, 1981
Deviations:
no
Qualifier:
according to guideline
Guideline:
other: EEC Directive A.7 "fat solubility"
Version / remarks:
EEC Directive 84/449 EEC, EEC Publication No. L251, September 1984
Deviations:
no
GLP compliance:
yes
Medium:
standard fat
Solubility:
< 6.8 other: mg/100 g standard fat
Temp.:
37 °C
Test substance stable:
yes
Details on results:
The measured concentrations of Al in the samples were not very accurate due to a high background level in the samples to be analysed. Only the Ca values were considered for the calculation of the concentration of the test substance.
No significant differences were observed in the results from 3 and 24 hours stirring period as well as in the results from the under- and oversaturation group after both the 3 and 24 hours stirring period. Therefore, the test was considered valid. The fat solubility was calculated as the mean value of all measurements. Because the value for the blank is < 5.6 mg/100 g, no correction for the blank was made. Therefore, the fat solubility of the test substance is given as a maximum value.
The solubility of substance "reaction mass of calcium hydrogen phosphonate and dialuminium tricalcium hexaoxide" in standard fat HB 307 was determined to be < 68 +/- 4 x 10exp-3 g/kg, i.e. < 6.8 +/- 0.4 mg/100 g, at 37.0 + 0.5°C.
Conclusions:
Solubility in standard fat HB 307 < 68 +/- 4 x 10exp-3 g/kg, i.e. < 6.8 +/- 0.4 mg/100 g, at 37.0 +/- 0.5°C.
Executive summary:

The fat solubility of substance "reaction mass of calcium hydrogen phosphonate and dialuminium tricalcium hexaoxide" (a.i. 90 %) was measured in a study performed as flask method according to EU Method A.7 (Fat Solubility), 1984 and OECD Guideline 116 (Fat Solubility of Solid and Liquid Substances), 1981.

An amount of approximately 0.38-0.50 g of the test substance was weighed into each of eight Erlenmeyer flasks. To each flask, 50 mL liquefied and mixed standard fat was added after which the flasks were securely closed. A commercially available standard fat (HB 307, NATEC, Institut für naturwissenschaftlich-technische Dienste GmbH, Hamburg, FRG) was used. This fat simulant is a synthetic mixture of saturated triglycerides with a fatty acid and triglyceride distribution similar to that of a coconut fat. One half of the flasks was placed in a thermostatically controlled water bath at 30°C and the other half was placed in a thermostatically controlled water bath at 50°C. The content of each flask was shaken for 1 hour. Thereafter, two flasks in both groups were shaken for 3 hours whereas the third and fourth flasks in both groups were shaken for 24 hours in thermostatically controlled water bath at 37 +/- 0.5°C. After the stirring periods at 37°C, the concentration of the test substance in the fat phases was determined. Samples of approximately 40 mL were taken and centrifuged for 10 minutes at 3500 g and 37°C. The supernatant was pipetted off and centrifuged a second time (same conditions). This was repeated once. The fat samples were decomposed by a high pressure nitrous acid digestion (Carius digestion). Al and Ca were determined by atomic absorption spectrometry (AAS). Al was determined by electrothermal atomization (ETA-AAS) in the graphite furnace and Ca was determined by flame atomization in a nitrous oxide/acetylene flame.

The measured concentrations of Al in the samples were not very accurate due to a high background level in the samples to be analysed. Only the Ca values were considered for the calculation of the concentration of the test substance.

No significant differences were observed in the results from 3 and 24 hours stirring period as well as in the results from the under- and oversaturation group after both the 3 and 24 hours stirring period. Therefore, the test was considered valid. The fat solubility was calculated as the mean value of all measurements. Because the value for the blank is < 5.6 mg/100 g, no correction for the blank was made. Therefore, the fat solubility of the test substance is given as a maximum value.

The solubility of substance "reaction mass of calcium hydrogen phosphonate and dialuminium tricalcium hexaoxide" in standard fat HB 307 was determined to be < 68 +/- 4 x 10exp-3 g/kg, i.e. < 6.8 +/- 0.4 mg/100 g, at 37.0 +/- 0.5°C.

Description of key information

Solubility in standard fat HB 307 was determined to be < 68 +/- 4 x 10exp-3 g/kg, i.e. < 6.8 +/- 0.4 mg/100 g, at 37.0 +/- 0.5°C.
EU Method A.7 (Fat Solubility), 1984 and OECD Guideline 116 (Fat Solubility of Solid and Liquid Substances), 1981

Key value for chemical safety assessment

Additional information

Value used for CSA: < 6.8 +/- 0.4 mg/100 g standard fat at 37.0 +/- 0.5 °C

The fat solubility of substance "reaction mass of calcium hydrogen phosphonate and dialuminium tricalcium hexaoxide" (a.i. 90 %) was measured in a study performed as flask method according to EU Method A.7 (Fat Solubility), 1984 and OECD Guideline 116 (Fat Solubility of Solid and Liquid Substances), 1981.

An amount of approximately 0.38-0.50 g of the test substance was weighed into each of eight Erlenmeyer flasks. To each flask, 50 mL liquefied and mixed standard fat was added after which the flasks were securely closed. A commercially available standard fat (HB 307, NATEC, Institut für naturwissenschaftlich-technische Dienste GmbH, Hamburg, FRG) was used. This fat simulant is a synthetic mixture of saturated triglycerides with a fatty acid and triglyceride distribution similar to that of a coconut fat. One half of the flasks was placed in a thermostatically controlled water bath at 30°C and the other half was placed in a thermostatically controlled water bath at 50°C. The content of each flask was shaken for 1 hour. Thereafter, two flasks in both groups were shaken for 3 hours whereas the third and fourth flasks in both groups were shaken for 24 hours in thermostatically controlled water bath at 37 +/- 0.5°C. After the stirring periods at 37°C, the concentration of the test substance in the fat phases was determined. Samples of approximately 40 mL were taken and centrifuged for 10 minutes at 3500 g and 37°C. The supernatant was pipetted off and centrifuged a second time (same conditions). This was repeated once. The fat samples were decomposed by a high pressure nitrous acid digestion (Carius digestion). Al and Ca were determined by atomic absorption spectrometry (AAS). Al was determined by electrothermal atomization (ETA-AAS) in the graphite furnace and Ca was determined by flame atomization in a nitrous oxide/acetylene flame.

The measured concentrations of Al in the samples were not very accurate due to a high background level in the samples to be analysed. Only the Ca values were considered for the calculation of the concentration of the test substance.

No significant differences were observed in the results from 3 and 24 hours stirring period as well as in the results from the under- and oversaturation group after both the 3 and 24 hours stirring period. Therefore, the test was considered valid. The fat solubility was calculated as the mean value of all measurements. Because the value for the blank is < 5.6 mg/100 g, no correction for the blank was made. Therefore, the fat solubility of the test substance is given as a maximum value.

The solubility of substance "reaction mass of calcium hydrogen phosphonate and dialuminium tricalcium hexaoxide" in standard fat HB 307 was determined to be < 68 +/- 4 x 10exp-3 g/kg, i.e. < 6.8 +/- 0.4 mg/100 g, at 37.0 +/- 0.5°C.

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