(trans(trans))-4'-but-3-enyl-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:

2006-07-24 to 2006-08-14

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

1992

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

GLP compliance:

yes

Type of method:

column elution method

Key result

Water solubility:

< 0.042 mg/L

Conc. based on:

test mat.

Incubation duration:

72 - 75 h

Temp.:

25 °C

pH:

>= 5.7 - <= 6.9

Details on results:

Preliminary Visual Estimation of the Water Solubility
Increasing water amounts were added stepwise to different amounts of the test item. The preliminary visual experiments showed that the water solubility of the test item is below 10.7 mg/L. Therefore the water solubility had to be determined by the "column elution method".

Column 1:

Rotation period of the fraction accumulator: 90 min per fraction

Average fraction volume: 16.1 mL

Flow rate: between 10.3 mL/h and 11.0 mL/h

Duration of sampling: about 75 h (50 fractions)

Column 2:

Rotation period of the fraction accumulator: 45 min per fraction

Average fraction volume: 15.6 mL

Flow rate: between 20.0 mL/h and 21.3 mL/h

Duration of sampling: about 72 h (96 fractions)

Column 3 (blank):

Rotation period of the fraction accumulator: 45 min per fraction

Average fraction volume: 15.1 mL

Flow rate: between 19.3 mL/h and 21.3 mL/h

Duration of sampling: about 75 h (100 fractions)

Column-elution method: Column 1

Fraction no.	V in mL	pH	water solubility in mg/L
43	16.5	5.7	<0.042
44	16.5	6.1	<0.042
45	16.5	6.4	<0.042
46	16.5	6.2	<0.042
47	16.0	6.2	<0.042

According to the guideline the run can be stopped if the concentrations of five fractions do not differ more than ± 30 % without any raising or descending tendency. The content of test item in every fraction is below the detection limit.

Column-elution method: Column 2

Fraction no.	V in mL	pH	concentration in mg/L
86	16.0	6.9	<0.042
87	16.0	6.7	<0.042
88	16.0	6.2	<0.042
89	16.0	6.5	<0.042
90	16.0	6.5	<0.042

According to the guideline the run can be stopped if the concentrations of five fractions do not differ more than ± 30 % without any raising or descending tendency. The content of test item in every fraction is below the detection limit.

Column-elution method: Column 3 (blank) 

Fraction no.	V in mL	pH	concentration in mg/L
90	14.5	6.4	<0.042
91	14.5	6.3	<0.042
92	14.5	6.3	<0.042
93	14.5	6.3	<0.042
94	14.5	6.2	<0.042

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 were calculated from the fractions 43 to 47 for column 1, from the fractions 86 to 90 for column 2, from the fractions 90 to 94 for column 3.

All other fractions were discarded.

Result column 1:

Evaluation of the fractions 43 to 47:

The water solubility was found to be: < 0.042 mg/L (without correction of the purity)

Result column 2:

Evaluation of the fractions 86 to 90:

The water solubility was found to be: < 0.042 mg/L (without correction of the purity)

Result column 3:

Evaluation of the fractions 90 to 94: The blank concentration was found to be < 0.042 mg/L.

The water solubility of the test item at a temperature of 20°C was determined to (without correction for the purity): < 0.042 mg/L

Conclusions:

The water solubility of the test item was determined to be < 0.042 mg/L at 20°C.

Executive summary:

The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis. Two identical samples were prepared, one of them was exposed to a flow rate of 12.5 mL/h (column 1), the other one to 25.0 mL/h (column 2). After measurement of the volume, pH and temperature, the fractions were subjected to HPLC analysis. For the determination of the water solubility it was not necessary to combine or to concentrate the fractions. Another experiment was performed according to this procedure (flow rate 25.0 mL/h) but without test item ("blank" = column 3).

The water solubility of the test item at a temperature of 20°C was determined (without correction for the purity) to be < 0.042 mg/L.

Description of key information

The water solubility of the test item was determined to be < 0.042 mg/L at 20 °C.

Additional information

The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis.Two identical samples were prepared, one of them was exposed to a flow rate of 12.5 mL/h (column 1), the other one to 25.0 mL/h (column 2). After measurement of the volume, pH and temperature, the fractions were subjected to HPLC analysis. For the determination of the water solubility it was not necessary to combine or to concentrate the fractions. Another experiment was performed according to this procedure (flow rate 25.0 mL/h) but without test item ("blank" = column 3).

The water solubility of the test item at a temperature of 20°C was determined (without correction for the purity) to be < 0.042 mg/L (reference 4.8-1).