1-Pentanone, 1-[4-(4-propylcyclohexyl)phenyl]-, 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:

10.12. - 07.02.13

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

no

Type of method:

column elution method

Key result

Water solubility:

< 0.07 mg/L

Conc. based on:

test mat.

Incubation duration:

51 h

Temp.:

20 °C

pH:

> 5.9 - < 6

Column 1:

Rotation period of the fraction collector: 90 min per fraction

Duration of sampling: about 51 h (34 fractions) 

Fraction	V	pH	water solubility
no.	in mL		in µg/L
22	17.5	5.7	<13.5
23	17.5	5.7	<13.5
24	17.5	5.7	<13.5
25	17.5	5.7	<13.5
26	17.5	5.7	<13.5

The water solubility was found to be below the quantification limit of 13.5 µg/L.

 

Column 2:

Rotation period of the fraction collector: 45 min per fraction Duration of sampling: about 51 h (68 fractions)

Fraction no.	V in mL	pH	water solubility in µg/L
52	19.0	5.6	<13.5
53	19.0	5.6	<13.5
54	19.0	5.6	<13.5
55	19.0	5.6	<13.5
56	19.0	5.6	<13.5

The water solubility was found to bebelow the quantification limit of 13.5µg/L.

In column 3 and 4 the concentration of five consecutive fractions was constant within ± 30 %. No increasing or decreasing tendency was observed. 

The water solubility of the test item (mean value of column 1 and column 2) was below the quantification limit of 13.5µg/L.

 

A coating check at the end of the study is performed to confirm that enough residualtest item remained on the columns.

	Amount of test item used for coating / mg	Measured concentrationof test item in eluate / mg/L	Amount of test item eluted / mg
Column 12.5 mL/h	23.4	0.426 / 0.425	21.27
Column 25 mL/h		0.424 / 0.422	21.15

Conclusions:

The water solubility of the test item at a temperature of 20°C was determined according to the column elution method. lt was found to be below the quantification limit: cs < 0.014 mg/l

Executive summary:

The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis. 93.6 mg of the test item were dissolved in 100 mL acetone. For charging the columns in each case 25 mL of the test item solution was added to about 3 g of sea sand and the mixtures were shaken. The solvent was then removed under reduced pressure using a rotary evaporator (50 °C, approx. 40 mbar). The dry residues were placed into the columns of the test apparatus, which have afterwards been filled with water (test temperature: 20 °C; water pH at 23 °C: 5.6). After a swelling time of 2 h pumps were started to rinse the test item coated sand with distilled water. The values for the water solubility were calculated from fractions 22 to 26 for the 12.5 mL/h column and from the fractions 52 to 56 for the 25.0 mL/h column. In both columns the concentration of five consecutive fractions was constant within ± 30 %. No increasing or decreasing tendency was observed. The water solubility of the test item (mean value of column 1 and column 2) was below the quantification limit of 13.5µg.

Description of key information

The water solubility of the test item at a temperature of 20°C was determined to be below the quantification minit of 13.5µg/

(reference 4.8-1).

Key value for chemical safety assessment

Water solubility:

247 µg/L

at the temperature of:

20 °C

Additional information

The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis. 93.6 mg of the test item were dissolved in 100 mL acetone. For charging the columns in each case 25 mL of the test item solution was added to about 3 g of sea sand and the mixtures were shaken. The solvent was then removed under reduced pressure using a rotary evaporator (50 °C, approx. 40 mbar). The dry residues were placed into the columns of the test apparatus, which have afterwards been filled with water (test temperature: 20 °C; water pH at 23 °C: 5.6). After a swelling time of 2 h pumps were started to rinse the test item coated sand with distilled water. The values for the water solubility were calculated from fractions 22 to 26 for the 12.5 mL/h column and from the fractions 52 to 56 for the 25.0 mL/h column. In both columns the concentration of five consecutive fractions was constant within ± 30 %. No increasing or decreasing tendency was observed. The water solubility of the test item (mean value of column 1 and column 2) was below the quantification limit of 13.5µg/L.