Citronellyl butyrate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

20 to 24 June 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

The OECD guideline was adapted to a slow-stirring design.

GLP compliance:

yes (incl. QA statement)

Type of method:

other: slow-stiring experiment

Remarks:

Since the test item is a liquid with a solubility < 10 mg/L, the OECD guideline was adapted to a slow-stirring design, in order to avoid formation of an emulsion. The time and temperature conditions for the test were based on the shake flask method.

Key result

Water solubility:

1.63 mg/L

Temp.:

20 °C

pH:

8.89

Results

After a stirring time of 24 hours, 48 hours and 72 hours, respectively, at 30°C, the samples were equilibrated for another 24 hours at 20°C. Afterwards, a duplicate aliquot of the samples was taken through a cock at the bottom of the flask. The samples were diluted and analysed by HPLC with UV-detection. The results of the individual measurements are shown in table below. The tabulated values represent rounded results, obtained by calculation using the exact raw data.

 

Sample No.	Stirring time at 30 °C [hours]	Measured Concentration [mg/L]	Water Solubility Mean Value [mg/L]
72-1	72	0.34	0.338
72-2	72	0.336
48-1	48	1.49	1.48
48-2	48	1.47
24-1	24	1.63	1.63
24-2	24	1.62

 

After 24 hours stirring time, a mean value of 1.63 mg/L was obtained. The mean value after 48 hours stirring was 1.48 mg/L. The difference of the value after 24 hours from the 48 hours value was 9.2 %. According to the test guideline, the repeatability between two assays should be < 15 %. The acceptance criterium was fulfilled for the 24 and 48 hours value. Thus, the study is valid. The saturation was already achieved after 24 hours.

After 72 hours stirring time, a mean value of 0.338 mg/L was obtained. The concentration in water was significantly lower than after 24 and 48 hours. Moreover these samples showed an additional peak in the chromatogram at earlier retention times (see Figure 6). From these findings it can be concluded, that the test item was not stable in water and decreased to a hydrolysis product during the performance of the test. This peak of a degradation product could not yet be detected in the 48 hours samples.

Due to the instability of the test item in water, the water solubility was derived from the maximum value being achieved after 24 hours.

 

Final Results

During this study, the water solubility of the test item was determined using a slow-stirring experiment. The time / temperature conditions for the test were based on the OECD Guideline for the Testing of Chemicals, No. 105: Water Solubility, shake flask method.

The water solubility of the test item was found to be 1.63 mg/L, at a pH of 8.89 and a temperature of 20°C

The maximum solubility was achieved after 24 hours. Afterwards a degradation of the test item in water could be observed.

Conclusions:

A water solubility value of 1.63 mg/L (at 20 °C, pH = 8.89) was determined using a slow-stirring experiment. The time / temperature conditions for the test were based on the OECD Guideline for the Testing of Chemicals, No. 105: Water Solubility, shake flask method.
The maximum solubility was achieved after 24 hours. Afterwards a degradation of the test item in water could be observed.

Description of key information

Water solubility: 1.63 mg/L at 20 °C, pH = 8.89 (OECD 105)

Key value for chemical safety assessment

Water solubility:

1.63 mg/L

at the temperature of:

20 °C

Additional information

Since the test item is a liquid with a solubility < 10 mg/L, the OECD guideline was adapted to a slow-stirring design, in order to avoid formation of an emulsion.

The time / temperature conditions for the test were based on the OECD Guideline for the Testing of Chemicals, No. 105: Water Solubility, shake flask method.

The maximum solubility was achieved after 24 hours. Afterwards a degradation of the test item in water could be observed.