Reaction mass of 1-hydroxypentan-2-yl formate and 2-hydroxypentyl formate and pentane-1,2-diol and pentane-1,2-diyl diformate

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 20 Jul 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

Type of method:

flask method

Key result

Water solubility:

>= 55.6 - <= 127 g/L

Temp.:

20 °C

pH:

>= 3 - <= 3.2

Remarks on result:

other: two loading rate were applied (100 g/L and 1000 g/L)

Results

 

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

Table 1: Results of the Water Solubility of the test item - Higher loading rating (1000 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. [%]
1 2	1 1	124.06 126.39	125.22	127.0 +/- 1.9	+/- 1.5 %
3 4	4 4	129.72 128.13	128.93
5 6	7 7	127.38 126.53	126.96

 

Table 2: Results of the Water Solubility of the test item - Lower loading rating ( 100 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. [%]
7 8	1 1	56.65 55.31	55.98	55.6 +/- 0.7	+/- 1.3 %
9 10	4 4	54.06 55.54	54.80
11 12	7 7	56.64 55.51	56.08

  

The water solubility of the test item, based on evaluation of four peaks representing the compounds of the test item, was found to be 127.0 g/L for the higher loading rate and 55.6 g/L for the lower loading rate.

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.

Conclusion

During this study, the water solubility of the test item was determined at 20°C using the shake flask method. The water solubility was found to be 55.6 g/L ± 0.7 g/L for a loading rate of 100 g/L at a mean pH value of 3.2 and 127.0 g/L ± 1.9 g/L for a loading rate of 1000 g/L at a mean pH value of 3.0. Due to reasons given earlier, these values have to be seen as an approximation.

Conclusions:

During this study, the water solubility was determined at 20°C using the shake flask method.
The water solubility was found to be 55.6 g/L ± 0.7 g/L for a loading rate of 100 g/L at a mean pH value of 3.2 and 127.0 g/L ± 1.9 g/L for a loading rate of 1000 g/L at a mean pH value of 3.0.
These values have to be seen as an approximation.

Executive summary:

The water solubility of the test item at 20°C could not be determined under the OECD 105 guidelines conditions due to the instability of the test item and was repeated with shorter stirring times and higher loading rates at 20°C exclusively.

For a test item loading rate of 100 g/L, the water solubility was found to be 55.6 ± 0.7 g/L. For a test item loading rate of 1000 g/L, the water solubility was found to be 127.0 ± 1.9 g/L. Since the test item is a mixture of four constituents with different solubilities, the results should be regarded as an approximated value.

Description of key information

Water solubility values of 55.6 g/L ± 0.7 g/L for a loading rate of 100 g/L at a mean pH value of 3.2 and 127.0 g/L ± 1.9 g/L for a loading rate of 1000 g/L at a mean pH value of 3.0 were determined for the test substance according to OECD 105.

Key value for chemical safety assessment

Water solubility:

127 mg/L

at the temperature of:

20 °C

Additional information

The water solubility of the test item at 20°C could not be determined under the OECD 105 guidelines conditions due to the instability of the test item and was repeated with shorter stirring times and higher loading rates at 20°C exclusively.

For a test item loading rate of 100 g/L, the water solubility was found to be 55.6 ± 0.7 g/L. For a test item loading rate of 1000 g/L, the water solubility was found to be 127.0 ± 1.9 g/L. Since the test item is a mixture of four constituents with different solubilities, the results should be regarded as an approximated value.