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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 1991-01 to 1992-05-06
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1981
Deviations:
no
GLP compliance:
yes
Type of method:
flask method
Specific details on test material used for the study:
Purity: 99.9%
Batch No.: 4624
Emperical formula: C18H27ClO3
CAS No.: 28473-03-2
Key result
Conc. based on:
test mat.
Incubation duration:
>= 1 - <= 3 d
Temp.:
20 °C
pH:
>= 5 - <= 9
Remarks on result:
other: insoluble

Preliminary solubility test:

100 µL of the test item was added to a screw-capped tube with 100 µL of distilled water. The sample was shaken, sucked up into a Pasteur pipette and examined for layers. Further aliquots of distilled water up to 10 mL total volume were added. The sample was then sonicated for 45 minutes and re-examined. Separation of the water and the test item layers was still visible.

Solubility in Aqueous Buffer Solutions:

Using the analytical method, the buffered water test samples were analysed. MCPP-P 2-EHE was not detected in any of the test samples analysed, standard and quality control samples gave satisfactory results. The limit of detection of the analytical method is 0.17 µg/mL, thus, the solubility of MCPP-P 2-EHE is less than 0.17 µg/mL (0.17 ppm) in water buffered to 5.0, 7.0 and 9.0.

MCPP-P 2-EHE has a retention time of ca. 4.8 min.

Conclusions:
The test material was found to be insoluble (< 0.17*10-3 g/L or 0.17 ppm) in distilled water buffered to pH 5.0, 7.0 and 9.0.
Executive summary:

The water solubility was determined according to OECD TG 105 and using the shake flask method with liquid chromatography analysis. In a preliminary test about 100 µL test substance was mixed with 100 µL distilled water and shaken. The prepared mix was examined for layers. Further aliquots of distilled water up to 10 mL were added. After 45 minutes of sonication separation of the water and test item layer was still visible. For the main test three buffered water solutions were prepared at pH 5.0, 7.0 and 9.0. A set of nine flasks per buffer were prepared. In each flask ca. 125 mg accurately weighted MCPP-P 2-EHE was added together with 25 mL buffer solution. All flasks were shaken at a thermostatically controlled water bath at 30 °C. After 24h, three flasks from each set were removed and left at ambient temperature (21.5 ± 0.5 °C) for another 24h with occasional shaking. An aliquot of the supernatant was taken and filtered through 0.45 µm filter. This procedure of removal from the water bath and acclimation at ambient temperature was repeated for the other six flasks in the set after 2 and 3 days. Using liquid chromatography, the filtered aliquots were analysed. MCPP-P 2-EHE was not detected in any of the test samples analysed, standard and quality control samples gave satisfactory results. The limit of detection of the analytical method is 0.17 µg/mL, thus, the solubility of MCPP-P 2-EHE is less than 0.17 µg/mL (0.17 ppm) in water buffered to 5.0, 7.0 and 9.0.

Description of key information

MCPP-P 2-EHE was found to be insoluble (< 0.17*10-3 g/L or 0.17 ppm) in distilled water buffered to pH 5.0, 7.0 and 9.0. The water solubility of the main hydrolysis product, MCPP-P acid, is 860 mg/L at 20 °C. As MCPP-P 2-EHE hydrolyses rapidly to MCPP-P acid, the water solubility of the acid will be used for further risk assessment and PNEC calculations.

Key value for chemical safety assessment

Water solubility:
860 mg/L
at the temperature of:
20 °C

Additional information

The test material was found to be insoluble (< 0.17*10-3 g/L or 0.17 ppm) in distilled water buffered to pH 5.0, 7.0 and 9.0.

The water solubility was determined according to OECD TG 105 and using the shake flask method with liquid chromatography analysis [MCPP-P Task Force, 1992]. In a preliminary test about 100 µL test substance was mixed with 100 µL distilled water and shaken. The prepared mix was examined for layers. Further aliquots of distilled water up to 10 mL were added. After 45 minutes of sonication separation of the water and test item layer was still visible. For the main test three buffered water solutions were prepared at pH 5.0, 7.0 and 9.0. A set of nine flasks per buffer were prepared. In each flask ca. 125 mg accurately weighted MCPP-P 2-EHE was added together with 25 mL buffer solution. All flasks were shaken at a thermostatically controlled water bath at 30 °C. After 24h, three flasks from each set were removed and left at ambient temperature (21.5 ± 0.5 °C) for another 24h with occasional shaking. An aliquot of the supernatant was taken and filtered through 0.45 µm filter. This procedure of removal from the water bath and acclimation at ambient temperature was repeated for the other six flasks in the set after 2 and 3 days. Using liquid chromatography, the filtered aliquots were analysed. MCPP-P 2-EHE was not detected in any of the test samples analysed, standard and quality control samples gave satisfactory results. The limit of detection of the analytical method is 0.17 µg/mL, thus, the solubility of MCPP-P 2-EHE is less than 0.17 µg/mL (0.17 ppm) in water buffered to 5.0, 7.0 and 9.0.