(trans(trans))-4'-vinyl-4-(4-methylphenyl)bicyclohexyl

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

August 2000

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes

Type of method:

column elution method

Key result

Water solubility:

< 0.005 mg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

ca. 7.15

Details on results:

According to the guideline, the data of the fractions 1 to 5 were not taken into account for the following evaluation. The values, for the water solubility have to be calculated from at least 5 fractions; therefore in the presented study they were determined from the fractions 11 to 20 for both columns. Results for fractions 6 to 10 are reported for information only. Fraction 21 and all following fractions were discarded without, determination of any parameter.

Result run 1: Evaluation of the fractions 11 to 20. The water solubility was found to be less than 0.005 mg/L.
Result run 2: Evaluation of the fractions 11 to 20. The water solubility was found to be less than 0.005 mg/L.

Experimental Data

Column-elution method: Run 1 (applied standards: 0.005214 mg/L for fractions 6 to 10; average HPLC peak area: 0.2215; 0.005214 mg/L for fractions 11 to 15; average HPLC peak area: 0.2065; 0.005214 mg/L for fractions 16 to 20; average HPLC peak area: 0.2210).

Fraction	V	- pH	HPLC peak	concentration
No.	(mL)		area *	(mg/L)
6	18.2	7.12	< 0.2215	< 0.005214
7	18.4	7.12	< 0.2215	< 0.005214
a	18.4	6.97	< 0.2215	< 0.005214
9	18.4	6.94	< 0.2215	< 0.005214
10	18.4	6.97	< 0.2215	< 0.005214
11	18.4	7.03	< 0.2065	< 0.005214
12	18.4	7.14	< 0.2065	< 0.005214
13	18.5	7.11	< 0.2065	< 0.005214
14	18.5	7.17	< 0.2065	< 0.005214
15	18.5	7.08	< 0.2065	< 0.005214
16	18.4	7.03	< 0.2210	< 0.005214
17	18.4	7.05	< 0.2210	< 0.005214
18	18.5	7.04	< 0.2210	< 0.005214
19	18.5	7.08	< 0.2210	< 0.005214
20	18.4	6.99	< 0.2210	< 0.005214

Column-elution method: Run 2 (applied standards: 0.005194 mg/L for fractions 6 to 10; average HPLC peak area: 0.1870; 0.005194 mg/L for fractions 11 to 15; average HPLC peak area: 0.2110; 0.005194 mg/L for fractions 16 to 20; average HPLC peak area: 0.2060).

Fraction	V -	pH	HPLC peak	cs
No.	(mL)		area *	(mg/L)
6	18.9	6.88	0.1570	0.004361
7	19.0	• 6.81	< 0.1870	< 0.005194
8	19.0	7.03	< 0.1870	< 0.005194
g	19.0	6.71	< 0.1870	< 0.005194
10	18.9	6.95	< 0.1870	< 0.005194
11	18.9	6.76	< 0.2110	< 0.005194
12	18.9	6.82	< 0.2110	< 0.005194
13	18.7	6.84	< 0.2110	< 0.005194
14	18.8	6.85	< 0.2110	< 0.005194
15	18.8	6.68	< 0.2110	< 0.005194
16	18.8	6.87	< 0.2060	< 0.005194
17	18.7	6.88	< 0.2060	< 0.005194
18	18.7	6.92	< 0.2060	< 0.005194
19	18.9	6.89	< 0.2060	< 0.005194
20	18.9	6.92	< 0.2060	< 0.005194

 

Conclusions:

The water solubility of the test item was determined to be below 0.005 mg/L at 20°C and pH 7.15

Executive summary:

The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis. In a preliminary test increasing water amounts were added to about 10 mg of the test substance and treated with ultra sound for 30 minutes. Even in a total volume of 1000 mL undissolved particles was observed. Thus the water solubility of the test substance was less than 10 mg/L and had to be determined using the column elution method. 0.1049 g of the test substance were dissolved in 25 mL acetonitrile. 10 mL of this solution were added to about 3 g of sea-shore sand and the mixture was shaken. The solvent was then removed under reduced pressure using a rotary evaporator. Two identical samples were prepared; one of them was exposed to a flow rate of 12.5 mL/h, the other one to 25 mL/h. After measurement of volume, pH and temperature, the selected fractions were directly subjected to HPLC analysis. The water solubility of the test substance at a temperature of 20°C was determined (average over both runs, fractions 11 to 20) to be below 0.005 mg/L.

 

Description of key information

The water solubility of the test item was determined to be below 0.005 mg/L at 20°C and pH 7.15 (reference 4.8 -1).

Additional information

The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis. In a preliminary test increasing water amounts were added to about 10 mg of the test substance and treated with ultra sound for 30 minutes. Even in a total volume of 1000 mL undissolved particles was observed. Thus the water solubility of the test substance was less than 10 mg/L and had to be determined using the column elution method. 0.1049 g of the test substance were dissolved in 25 mL acetonitrile. 10 mL of this solution were added to about 3 g of sea-shore sand and the mixture was shaken. The solvent was then removed under reduced pressure using a rotary evaporator. Two identical samples were prepared; one of them was exposed to a flow rate of 12.5 mL/h, the other one to 25 mL/h. After measurement of volume, pH and temperature, the selected fractions were directly subjected to HPLC analysis. The water solubility of the test substance at a temperature of 20°C was determined (average over both runs, fractions 11 to 20) to be below 0.005 mg/L.