Reaction mass of (1S*, 2R*, 5S*)-2-Isopropenyl-5-methylcyclohexanol and (1S*, 2S*, 5R*)-2-Isopropenyl-5-methylcyclohexanol

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

16 to 30 January 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Remarks:

Swiss Federal Office of Public Health

Type of method:

flask method

Key result

Water solubility:

2.68 g/L

Temp.:

20 °C

pH:

>= 3.8 - <= 6.5

Remarks on result:

other: sum of four constituents

The test item consists of several constituents, resulting in four peaks under the given HPLC conditions. The evaluation of the water solubility was made based on the sum of the peak areas. The results are given in the following table.

 

Results of the Water Solubility of the test item.The tabulated values represent rounded results, obtained by calculation using the exact raw data.

Sample No.	Shaking time at 30 °C	Test item solution pH	Determined concentration	Water Solubility Mean Value	Overall Mean ± Std. Dev.	Rel. Std. Dev.
	[hours]		[mg/L]	[mg/L]	[mg/L]	[%]
	Higher Loading rate
72-7	72	3.79	2717	2728	2694 ± 30	1.1
72-8	72	3.78	2739
48-7	48	3.74	2706	2687
48-8	48	3.80	2668
24-7	24	3.82	2667	2668
24-8	24	3.95	2669
	Lower Loading rate
72-5	72	6.52	2651	2666	2667 ± 34	1.3
72-6	72	6.28	2682
48-5	48	6.66	2713	2702
48-6	48	6.45	2690
24-5	24	6.24	2643	2634
24-6	24	6.99	2625
	Total Mean of 6 tests				2681 ± 32	1.2

 

At the higher loading rate (about 100 g/L) an overall mean content in water of 2.69 ± 0.03 g/L was obtained at a pH ca. 3.8. At the lower loading rate (about 10 g/L) an overall mean of 2.67 ± 0.03 g/L was obtained at a pH ca. 6.5. Since there is no significant difference between the two loading rates, the water solubility determination based on summing up of the peak areas of the individual constituents is an appropriate procedure for the test compound. The water solubility of the test compound was calculated based on the mean values of the six assays.

 

The water solubility of the test item based on evaluation of the peak area sum of four constituents was found to be 2.68 ± 0.03 g/L.

Conclusions:

A water solubility value of 2.68 ± 0.03 g/L (at 20 °C, pH = 3.8-6.5) was determined for the test substance according to OECD 105.

Description of key information

Water solubility: 2.68 ± 0.03 g/L at 20 °C, pH = 3.8-6.5 (OECD 105, shake flask method)

Key value for chemical safety assessment

Water solubility:

2.68 g/L

at the temperature of:

20 °C

Additional information

The water solubility determination based on evaluation of the peak area sum of four constituents.