3-methyl-2-butenyl salicylate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Feb 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

7.51 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

2 g/L

Incubation duration:

> 48 - < 72 h

Temp.:

20 °C

pH:

> 3.7 - < 3.9

Details on results:

The result found after an incubation time of 72 hours deviated from the result after 48 hours by 0.2 %. Thus, the result after 72 hours did not exceed by more than 15 % the result found after an incubation time of 48 hours, and there was no tendency of increase during incubation. The acceptance criterium was fulfilled. Thus, the study is valid. The saturation was achieved after 24 hours. The repeatability of the three assays was 10.6 % (relative standard deviation) and can thus be considered as constant. The criterium for < 15 % repeatability for constancy of values as given in the guideline was fulfilled.
The measured value was slightly below 10 mg/L. After centrifugation no Tyndall was observed in the solutions and the test item appeared as compact droplet, which was well separated from water. Thus, the presence of emulsified test item can be excluded, and the shake flask method is appropriate for the determination of the water solubility of the test item. The test item showed to be stable during the performance of the test.
The calibration was verified by a 2nd weighing of the test item and dilution of this stock solution into the calibration curve at levels of 4.00, 7.70 and 17.3 mg/L. Analysis of these quality control solutions and evaluation against the calibration curve yielded recoveries in the range of of 101 % to 104 % compared to the nominal values. These data show the correct preparation of the calibration standards.

Conclusions:

The water solubility of the test item was found to be 7.51 ± 0.80 mg/L at 20 °C.

Executive summary:

In this study the water solubility of the test item was determined using the shake flask method according to OECD 105. Vessels containing water and the test item were shaken for 24 hours, 48 hours and 72 hours, respectively, at 30 °C. Afterwards, the samples were equilibrated for another 24 hours at 20 °C. Then, the samples were centrifuged and diluted, and the concentrations were determined by HPLC with UV-detection. The water solubility of the test item at 20 °C was found to be 7.51 ± 0.80 mg/L.

Description of key information

The water solubility of the test item was found to be 7.51 ± 0.80 mg/L at 20 °C.

Key value for chemical safety assessment

Water solubility:

7.51 mg/L

at the temperature of:

20 °C

Additional information

In this study the water solubility of the test item was determined using the shake flask method according to OECD 105. Vessels containing water and the test item were shaken for 24 hours, 48 hours and 72 hours, respectively, at 30 °C. Afterwards, the samples were equilibrated for another 24 hours at 20 °C. Then, the samples were centrifuged and diluted, and the concentrations were determined by HPLC with UV-detection. The water solubility of the test item at 20 °C was found to be 7.51 ± 0.80 mg/L.