Allyl 3-cyclohexylpropionate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water 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:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

0.017 g/L

Temp.:

20 °C

pH:

ca. 5

Details on results:

Three parallel tests were performed: one test flask each was equilibrated at 30 °C for 24 hours, 48 hours and 72 hours. The concentrations measured were 0.0158 g/L, 0.0163 g/L and 0.0175 g/L resulting in an average dissolved concentration of 0.0165 g/L.

The suitability of the analytical method was checked by standards for low and high levels. The low level standard with a concentration of 1.00 µg/mL was measured three times and the detected average concentration was 1.00 µg/mL resulting in a recovery of 100 %. The high level standard with a concentration of 10.00 µg/mL was measured three times and the detected average concentration was 10.15 µg/mL resulting in a recovery of 101.50 %.

Conclusions:

The water solubility of the test item was determined to be 16.5 mg/L at 20 °C.

Executive summary:

The water solubility of the substance was studied under GLP conditions in accordance with OECD guideline No 105. A defined quantity of test substance was weighed into Erlenmeyer flasks and 50 mL of double distilled water was added. Then the flasks were incubated at 30 °C for either 24, 48 or 72 hours, respectively. After the incubation, the flasks were equilibrated for a further 24 hours at the test temperature of 20 °C. Then a portion of the content was sampled and centrifuged at 20 °C and the pH of the sample was measured. The dissolved concentration of the substance was measured by HPLC-MS/MS. The measured dissolved concentration of the test substance in the three runs was 15.8 mg/L, 16.3 mg/L and 17.5 mg/L and the mean concentration at the test temperature of 20 °C was 16.5 mg/L. The difference between the last two concentrations is less than 15% so that the test is considered satisfactory. It can be concluded that the test substance is only slightly soluble in water.

Description of key information

The water solubility of the test item was determined to be 16.5 mg/L at 20 °C.

Key value for chemical safety assessment

Water solubility:

16.5 mg/L

at the temperature of:

20 °C

Additional information

The water solubility of the substance was studied under GLP conditions in accordance with OECD guideline No 105. A defined quantity of test substance was weighed into Erlenmeyer flasks and 50 mL of double distilled water was added. Then the flasks were incubated at 30 °C for either 24, 48 or 72 hours, respectively. After the incubation, the flasks were equilibrated for a further 24 hours at the test temperature of 20 °C. Then a portion of the content was sampled and centrifuged at 20 °C and the pH of the sample was measured. The dissolved concentration of the substance was measured by HPLC-MS/MS. The measured dissolved concentration of the test substance in the three runs was 15.8 mg/L, 16.3 mg/L and 17.5 mg/L and the mean concentration at the test temperature of 20 °C was 16.5 mg/L. The difference between the last two concentrations is less than 15% so that the test is considered satisfactory. It can be concluded that the test substance is only slightly soluble in water.