1,1'-Bicyclohexyl, 4-(1E)-1-propen-1-yl-4'-propyl-, (trans,trans)-

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

29.08.-12.09.2006

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes

Type of method:

column elution method

Key result

Water solubility:

< 0.058 mg/L

Conc. based on:

test mat.

Temp.:

20 °C

Remarks on result:

other: pH not relevant

Preliminary Visual Estimation of the Water Solubility

Increasing water amounts were added stepwise to different amounts of the test item.

 

Table: Appearance of the test mixtrues

Amount of test item /mg	Total volume of demineralized water / mL	Appearance of mixture
101.6	0.1	undissolved
101.6	0.5	undissolved
101.6	1.0	undissolved
101.6	2.0	undissolved
101.6	10.0	undissolved
11.0	100	undissolved
13.1	500	undissolved
13.0	1000	undissolved

 

The preliminary visual experiments showed that the water solubility of the test item was < 13 mg/L. According to the preliminary test the water solubility was determined by the column elution method in the main test.

Preliminary Visual Estimation of the Octanol Solubility

Increasing amounts of the test item were added stepwise to 20 ml octanol.

 

Table: Appearance of the test mixtures

Total amount of test item /mg	Total volume in mL	Appearance of mixture
28.1	20	dissolved
49.8	20	dissolved
78.8	20	dissolved
158.2	20	dissolved
281.3	20	dissolved
447.4	20	dissolved, solubility > 22.4 g/l

 

The preliminary visual experiments showed that the octanol solubility of the test item is above 22.4 g/l. Therefore the test item could be extracted from the aqueous phases with octanol.

Column 1:

Rotation period of the fraction accumulator:         90 min per fraction

Average fraction volume:                                          16.7 ml

Flow rate:                                                                      between 10.7 ml/h and 11.3 ml/h

Duration of sampling:                                               about 72 h (48 fractions)

 

Table column elution method, column 1

Fraction no	Combined fractions	V in ml	pH	measured concentraction in mg/l	water solubility in mg/l
17	1 -1	16.5	6.5	< 0.867	< 0.069
18	1 -1	16.5	6.7	< 0.867	< 0.069
19	1 -1	16.5	6.7	< 0.867	< 0.069
20	1 -2	16.5	6.6	< 0.867	< 0.058
21	1 -2	16.5	6.4	< 0.867	< 0.058
22	1 -2	16.5	6.4	< 0.867	< 0.058
23	1 -3	17.0	6.4	< 0.867	< 0.058
24	1 -3	17.0	6.5	< 0.867	< 0.058
25	1 -3	17.0	6.4	< 0.867	< 0.058
26	1 -4	17.0	6.5	< 0.867	< 0.058
27	1 -4	17.0	6.7	< 0.867	< 0.058
28	1 -4	17.0	6.6	< 0.867	< 0.058
29	1 -5	17.0	6.6	< 0.867	< 0.058
30	1 -5	17.0	6.8	< 0.867	< 0.058
31	1 -5	17.0	6.7	< 0.867	< 0.058

 

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 2:

Rotation period of the fraction collector:         45 min per fraction

Average fraction volume:                                   14.8 ml

Flow rate:                                                               between 20.7 ml/h and 22.7 ml/h

Duration of sampling:                                        about 72 h (96 fractions)

 

Table column elution method, column 2

Fraction no	Combined fractions	V in ml	pH	measured concentraction in mg/l	water solubility in mg/l
50	2 -1	16.0	6.1	< 0.867	< 0.058
51	2 -1	16.0	6.7	< 0.867	< 0.058
52	2 -1	16.0	6.6	< 0.867	< 0.058
53	2 -2	15.5	6.7	< 0.867	< 0.058
54	2 -2	15.5	6.6	< 0.867	< 0.058
55	2 -2	15.5	7.0	< 0.867	< 0.058
56	2 -3	15.5	7.2	< 0.867	< 0.058
57	2 -3	15.5	6.8	< 0.867	< 0.058
58	2 -3	15.5	6.7	< 0.867	< 0.058
59	2 -4	15.5	6.5	< 0.867	< 0.058
60	2 -4	15.5	6.7	< 0.867	< 0.058
61	2 -4	15.5	7.7	< 0.867	< 0.058
62	2 -5	15.5	7.2	< 0.867	< 0.058
63	2 -5	15.5	7.2	< 0.867	< 0.058
64	2 -5	15.5	6.9	< 0.867	< 0.058

Column 3:

Rotation period of the fraction collector:         45 min per fraction

Average fraction volume:                                  14.3 ml

Flow rate:                                                              between 20.0 ml/h and 22.0 ml/h

Duration of sampling:                                       about 72 h (96 fractions)

Table column elution method, column 3 (blank)

Fraction no	Combined fractions	V in ml	pH	measured concentraction in mg/l	water solubility in mg/l
50	3 -1	15.0	7.3	< 0.867	< 0.058
51	3 -1	15.0	7.0	< 0.867	< 0.058
52	3 -1	15.0	6.8	< 0.867	< 0.058
53	3 -2	15.0	6.7	< 0.867	< 0.058
54	3 -2	15.0	6.4	< 0.867	< 0.058
55	3 -2	15.0	6.7	< 0.867	< 0.058
56	3 -3	15.0	7.4	< 0.867	< 0.058
57	3 -3	15.0	7.6	< 0.867	< 0.058
58	3 -3	15.0	7.3	< 0.867	< 0.058
59	3 -4	15.0	7.3	< 0.867	< 0.058
60	3 -4	15.0	7.3	< 0.867	< 0.058
61	3 -4	15.0	7.3	< 0.867	< 0.058
62	3 -5	15.0	6.8	< 0.867	< 0.058
63	3 -5	15.0	7.1	< 0.867	< 0.058
64	3 -5	15.0	7.3	< 0.867	< 0.058

Result column 1: The water solubility was found to be < 0.058 mg/L (without correction of the purity)

Result column 2: The water solubility was found to be < 0.058 mg/L (without correction of the purity)

Result column 3: The blank concentration was found to be < 0.058 mg/L

 

Table Coating check

	Amount of test item used for coating /mg	Measured concentration of  test item in eluate /mg/L	Amount of test item  eluated /mg
Column 1	22.4	3.0 / 2.9	14.9
Column 2	22.4	3.2 / 3.2	16.1

 

The coating check was successful.

Conclusions:

The water solubility cs of the test item at a temperature of 20°C was determined according to the column elution method. It was found to be < 0.058 mg/L.

Executive summary:

The water solubility was determined according to OECD 105 using the column elution method. The preliminary test showed that the water solubility of the test item is < 10 mg/L. The column elution method showed a solubility: cs < 0.058 mg/L.

Description of key information

The water solubility cs of the test item at a temperature of 20°C was determined according to the column elution method was found to be < 0.058 mg/L.

Additional information

The water solubility was determined according to OECD 105 using the column elution method. The preliminary test showed that the water solubility of the test item is < 10 mg/L. The column elution method showed a solubility: cs < 0.058 mg/L.