4-(5-Ethyl-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:

14.07. - 06.12.16

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

GLP compliance:

no

Type of method:

flask method

Key result

Water solubility:

0.46 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

161.5 other: mg/20 ml demineralized water

Incubation duration:

72 h

Temp.:

20 °C

pH:

> 6 - < 6.4

Preliminary test

Three 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 1: Results of the preliminary test

Amount of test item /mg	Total volume of demineralized water / mL	Appearance of mixture
6.5	100	Not dissolved
9.0	500	particles on the surface
3.3	500	few small suspended particle

 

As the results of the preliminary test were ambiguos EPI SUite was used for an estimation of the water solubility. The calculated value was 161 mg/l. According to the preliminary estimation in the main test the water solubility was determined by the flask method.

Flask method

The flask method was performed as described. The data for the evaluation are given in the table. 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 Table 2.

 

Table 2: Water solubility experiments of the test item

Experiment	24 h experiment	48 h experiment	72 h experiment	Blank experiment 72 h
Amount of test item / mg	161.8	169.2	161.5	-
Amount of demineralized water / ml	20	20	20	20
Stirring at 30 °C / h	24	48	72	72
pH at 22 °C	6.0	6.4	6.3	6.1
Aliquots of the flasks / ml	0.1	0.1	0.1	0.1
1st Dilution to volume / ml	1.0	1.0	1.0	1.0
Aliquot of the flasks / ml	0.1	0.1	0.1	0.1
2nd Dilution to volume / ml	1.0	1.0	1.0	1.0
Dilution factor	100	100	100	100
Measured concentration / mg/l	4.78 / 4.43	4.56 / 4.56	4.63 / 4.62	- / -
Mean concentration / mg/l	4.61	4.56	4.63	--
Water solubility / g/l	0.461	0.456	0.463	--

 

The water solubility of the test item at 20 °C was determined to be 0.46 g/l (+/- 0.003 g/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 = 0.46 g/l (± 0.003 g/l).

Executive summary:

The water solubility was determined according to OECD 105 using the flask method. The preliminary test and estimation showed that the water solubility of the test item is > 100 mg/L. Thus the water solubility of the test item was determined with the flask method showing a solubility: cs= 0.46 g/l (+/-0.003 g/l).

Description of key information

The water solubility was determined according to OECD 105 using the flask method. The preliminary test and estimation showed that the water solubility of the test item is > 100 mg/L. Thus the water solubility of the test item was determined with the flask method showing a solubility: cs= 0.46 g/l (+/-0.003 g/l).

Key value for chemical safety assessment

Water solubility:

0.46 g/L

at the temperature of:

20 °C