reaction mass of [(1R*,5S*)-3,3,5-trimethylcyclohexyl] acetate and [(1S*,5S*)-3,3,5-trimethylcyclohexyl] acetate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

14-Aug-2013 to 19-Apr-2014

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

no

Type of method:

flask method

Remarks:

with HPLC analysis

Key result

Water solubility:

21 mg/L

Temp.:

20 °C

pH:

> 6.18 - < 6.71

Results

The mean peak areas relating to the standard and sample solutions are shown in the following table:

 

Mean peak areas relating to the standard and sample solutions

Solution	Mean Peak Area
Standard 10 mg/L	68.229
Standard 5 mg/L	35.215
Standard 2.5 mg/L	20.152
Standard 1 mg/L	10.353
Standard 0.5 mg/L	6.057
Sample 1A	33.526
Sample 1B	34.209
Sample 2A	28.193
Sample 2B	24.426
Sample 3A	31.086
Sample 3B	33.526

 

The concentration of test material in the sample solution is shown in the following table:

 

Concentration of test material in sample solution

Sample number	Time shaken at 30 °C (hours)	Time equilibrated at 20 °C (hours)	Concentration (mg/L)	pH after test
Sample 1A	24	24	23	6.18
Sample 1B	24	24	24	6.19
Sample 2A	48	24	19	6.70
Sample 2B	48	24	19	6.71
Sample 3A	72	24	21	6.41
Sample 3B	72	24	22	6.44

 

Mean concentration: 21 mg/L at 20 °C

Range: 19 to 24 mg/L at 20 °C

 

Validation

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0.5 to 10 mg/L. This was satisfactory with a coefficient of 0.9995 being obtained.

 

Conclusions

In the preliminary test, the approximate water solubility of [test item] was determined to be more than 10 mg/L. Therefore, the flask method of OECD guideline 105 was chosen for the definitive study. The chemical amount dissolved in water was determined by HPLC.

 

The water solubility of [test item] was determined to be 21 mg/L at 20 °C

Conclusions:

A water solubility value of 21 mg/L (at 20 °C, pH 6.18 to 6.71) was determined for the test substance according to OECD 105.

Description of key information

Water solubility: 21 mg/L at 20 °C, pH 6.18 – 6.71 (OECD 105, flask method, with HPLC analysis)

Key value for chemical safety assessment

Water solubility:

21 mg/L

at the temperature of:

20 °C