Reaction mass of 1-Hydroxyoctane, 2-methanoate and 1,2-Dihydroxyoctane, dimethanoate and 2-Hydroxyoctane 1-methanoate and 1,2-Dihydroxyoctane

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

11 Apr 2016 to 16 Apr 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Remarks:

Swiss Federal Office for the Environment (FOEN)

Type of method:

flask method

Key result

Water solubility:

2 667 mg/L

Temp.:

20 °C

pH:

2.9

Results

 

The tabulated values (see Tables 1 and 2) represent results based on evaluation of sum of peak areas of two main peaks.

Table 1: Results of the Water Solubility of the test item - Higher loading rating (about 12.5 g/L)

Sample No.	Shaking time at 30°C [hours]	Measured concentration* [mg/L]	Water Solubility Mean Value [mg/L]	Overall Mean ± Std. Dev. [mg/L]	Rel. Std. Dev. [%]
72 -3 72 -4	72 72	2275 2300	2288	2480 +/- 190	+/- 7.7 %
48 -3 48 -4	48 48	2499 2473	2486
24 -3 24 -4	24 24	2664 2670	2667

  * measured concentration represents mean value of duplicate measurements of the samples with different dilution factors

Table 2: Results of the Water Solubility of the test item - Lower loading rating (about 1.3 to 1.7 g/L)

Sample No.	Shaking time at 30°C [hours]	Measured concentration* [mg/L]	Water Solubility Mean Value [mg/L]	Overall Mean ± Std. Dev. [mg/L]	Rel. Std. Dev. [%]
72 -1 72 -2	72 72	869 963	916	1044 +/- 177	+/- 11.2 %
48 -1 48 -2	48 48	1117 1028	1073
24 -1 24 -2	24 24	1157 1132	1145

  * measured concentration represents mean value of duplicate measurements of the samples with different dilution factors

At the higher loading rate (about 12.5 g/L) an overall mean content in water of 2480 ± 190 mg/L was obtained. At the lower loading rate (about 1.3 to 1.7 g/L) an overall mean of 1044 ± 117 mg/L was obtained. The different values can be due to the composition of the test item consisting of four constituents with different water solubilities. Obviously at the lower loading rate, the saturation of the water with the more soluble compounds was not yet achieved, although the test item appeared as insoluble. Furthermore, the test item shows some instability during the performance of the test: a peak near the column dead time increased with increasing shaking time and also as compared to the content of this peak in the calibration solutions, while the two main peaks taken for evaluation decreased with increased shaking time.

Due to the instability of the test item and the incomplete saturation of water with some compounds at the lower loading rate, the water solubility was derived from the values obtained after 24 hours shaking time, performed with the assay at the higher loading rate. The water solubility of the test item - based on evaluation of two main peaks representing several compounds of the test item - was found to be 2667 mg/L.

It should be pointed out that the given value is an approximated value, since the test item consists of four constituents with different solubilities, affecting each other. Although the guideline OECD 105 is applicable from a technical point of view, the scientifical validity of water solubility determinations is restricted to essentially pure compounds.

Conclusions:

During this study, the water solubility of the test item was determined at 20°C at a mean pH value of 2.9 using the shake flask method according to OECD 105. The water solubility was found to be 2667 mg/L. Due to the reasons given earlier, the value has to be seen as an approximation.

Description of key information

Water solubility: 2667 mg/L at 20 °C, pH = 2.9 (OECD 105)

Key value for chemical safety assessment

Water solubility:

2 667 mg/L

at the temperature of:

20 °C

Additional information

The water solubility of the test item was determined at 20°C at a mean pH value of 2.9 using the shake flask method according to OECD 105. The water solubility was found to be 2667 mg/L. Since the test item is a mixture of four constituents with different solubilities, the value should be regarded as an approximated value.