4-(5-Propyl-tetrahydropyran-2-yl)-phenol

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

December 18, 2017 - February 09, 2018

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:

2008

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

no

Type of method:

flask method

Key result

Water solubility:

ca. 62 mg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

6.2

Preliminary test

ln a stepwise procedure, increasing volumes of demineralized water were added at room temperature to a defined amount of the test item. After each addition of an amount of water the mixture was treated with ultrasound for 10 minutes and visually checked for any undissolved particles.

Table 1: Results of the preliminary test

Amount of test item /mg	Added volume of demineralized water /ml	Total volume of demineralized water / mL	Appearance of mixture
104.6	0.1	0.1	Not dissolved
104.6	0.4	0.5	Not dissolved
104.6	0.5	1.0	Not dissolved
104.6	1.0	2	Not dissolved
104.6	8.0	10	Not dissolved

 

Three additional preliminary tests were carried out with specified amounts of the test item and 100 ml and 500 ml demineralized water, respectively. After each addition of an amount of water, the mixture was stirred for at least 24 hours, and visually checked for any undissolved particles.

 

Table 2: Results of the preliminary test

Amount of test item /mg	Total volume of demineralized water / mL	Appearance of mixture
10.2	100	Not dissolved
11.4	500	Not dissolved
4.8	500	Not dissolved

 

The preliminary test showed that the water solubility of the test item was < 10 mg/l. According to the preliminary test the water solubility was determined by the column elution method in the main test. However the column elution method showed a tendency and empty columns at the end of the test indicating a water solubility > 10 mg/l. Therefore the study was repeated with the flask method.

 

Flask method

The flask method was performed as described. Due to the tendency observed in the column elution method a fourt experiment with the test item and 168 h was performed to ensure a valid measurement. The data for the evaluation are given in Table 3. After the equilibration time precipitate was observed in the flasks of the experiments excluding in the blank experiment. The water solubility was calculated from the measured and unrounded concentration values and not from the rounded values given in the table.

 

Experiment	24 h experiment	48 h experiment	72 h experiment	168 h experiment	Blank experiment 72 h
Amount of test item / mg	14.3	12.3	12.5	12.1	--
Amount of demineralized water / ml	25	25	25	25	25
Stirring at 30 °C / h	24	48	72	168	72
pH at ambient temperature	6.2	6.1	6.1	6.3	6.2
Dilution Factor	400	400	400	400	400
Measured concentration /mg/l	0.163/0.152	0.159/0.158	0.161/0.162	0.146/0.146	-/-
Mean concentration /mg/l	0.158	0.158	0.161	0.146	-
Water solubility / mg/l	63.1	63.3	64.6	58.4	-

 

The water solubility of the test item at 20 °C was determined to be 63 mg/l (+/- 2 mg/l).

Conclusions:

The water solubility cs of the test item at a temperature of 20°C was determined according to the flask method. It was found to be: cs = 62 mg/l (± 2 mg/l).

Executive summary:

The water solubility of the test item at a temperature of 20 °C was determined according to the flask method. lt was found to be: 62 mg/L (+/- 2 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 flask method. It was found to be: cs = 62 mg/l (+/- 2 mg/l).

Key value for chemical safety assessment

Water solubility:

62 mg/L

at the temperature of:

20 °C