6-sec-butylquinoline

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

7th January 2019 to 20th February 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

Version of 27th July 1995

Deviations:

yes

Remarks:

The deviation can be considered as uncritical

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

Version of 24th Januear 2014

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

- Name: 6-sec-butylquinoline
- Purity by GLC: > 99.2%
- Lot number: 6SBQ5/2017
- Molecular formula: C13H15N
- Molecular weight: 185.26955 g/mol

Key result

Water solubility:

116.4 mg/L

Conc. based on:

test mat.

Loading of aqueous phase:

400 µg/L

Incubation duration:

20 d

Temp.:

20 °C

pH:

>= 5 - <= 6

Conclusions:

Mean at the plateau is 116.4 ± 1.5 mg/L at 20.0 ± 0.2 °C

Executive summary:

The solubility of the test item 6-sec-butylquinoline in water was determined by measure-ment of the test item concentration in the saturated test solutions using HPLC-UV.

The preliminary test which is described in the guideline was not performed as the solubility of the test item was estimated during validation of the analytical method as 48.41 mg/L (measured in a solution with concentration of the test item 100 mg/L).

As the test item is a liquid (density: 1.01 g/cm3, determined in LAUS study 17112706G912), the flask method with slow stirring was used.

In the main test, one loading rate of the test item was chosen: 500 mg/L (nominal). Three flasks 1A - C were used during equilibration. Seven vessels (flasks blank, 1C (for the sampling point 72 h) and 2 – 6) were set onto the magnetic stirrer immediately. After 24 ± 2 h, flask 1B (for the sampling point 48 h) and after 48 ± 2 h, flask 1A (for the sampling point 24 h) were set on the magnetic stirrer and all flasks were stirred for further 24 ± 2 hours at room temperature (20.0 ± 5 °C). Then, flasks 1A - 1C were taken from the magnetic stirrer, samples were taken, diluted and analysed. A rising tendency in the test item concentration was found on day 3. Therefore, the flasks 1A-C were sampled on the subsequent days until no differences above 15 % and no rising tendency in the test item concentration of the solutions were observed. During the study, first flask 1C and then flask 1B became turbid and could not be used for further sampling. Equilibrium, measured with flask 1A, was considered as reached 18 d after test start.

At the plateau, the concentration of 6-sec-butylquinoline in water had reached.

116.4 ± 1.5 g/L at 20.0 ± 0.2 °C

= 0.1664 ± 0.0015 kg/m3 (SI units)

(mean value ± standard deviation of five individual vessels)

Description of key information

Mean at the plateau is 116.4 ± 1.5 mg/L at 20.0 ± 0.2 °C

 

Key value for chemical safety assessment

Water solubility:

116.4 mg/L

at the temperature of:

20 °C