1-(2,2,4-trimethyl-1-quinolyl)ethanone

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

30 Jul- 10 Aug 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2020

Report date:

2020

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

Hessisches Ministerium für Umwelt, Klimaschutz, Landwirtschaft und Verbraucherschutz, Wiesbaden, Germany

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-one

EC Number:

665-911-3

Cas Number:

5855-23-2

Molecular formula:

C14 H17 N O

IUPAC Name:

1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-one

Results and discussion

Water solubility

Water solubility:

178 mg/L

Temp.:

20 °C

pH:

4.3

Remarks on result:

other: solubility in distilled water. RSD: 0.3 %. measured pH of the solution, resulting from 3 experiments.

Any other information on results incl. tables

Preliminary Estimation of the Water Solubility
Visual Estimation of the Solubility in distilled water
Increasing amounts of distilled water were added stepwise to approx. 100 mg of the liquid test item.

Table: Appearance of the test mixtures

Amount of test item	Total volume (mL)	Appearance of mixture
101.3 mg	0.1	undissolved particles ^1)
	0.5	undissolved particles ^1)
	1.0	undissolved particles ^1)
	2.0	undissolved particles ^1)
	10.0	undissolved particles ^1) 2)
	100	undissolved particles ^1) 2)

1) The mixture was shaken 2) sonicated for 10 min
Increasing amounts of distilled water were added to approx. 10 mg of the liquid test item. The mixtures were shaken and sonicated for 1 h.

Table: Appearance of the test mixtures

Amount of test item	Added volume of distilled water (mL)	Appearance of mixture
12.2 mg	100	dissolved ^1) 2)
9.8 mg	500	dissolved ^1) 2)

1) the mixture was shaken 2) sonicated for 1h

Result:
The liquid test item (12.2 mg) was completely dissolved in a volume of 100 mL. Thus, the approximated solubility of the test item in distilled water was between 1 g/L and 0.1 g/L. Therefore, the solubility in distilled water had to be determined by the "flask method".

Solubility in distilled water at different intervals

Experiment	A	B	C	D (Blank)
Amount of test item [mg]^1)	51.1	52.2	50.1	-
Stirring time at 30 °C [h]	24	48	72	72
pH at room temperature	4.29	4.28	4.30	6.01
Solubility in distilled water [mg/L] ^2)	177.9	179.1	178.2	-

1) Amounts are the initial weights of the test item.
2) The sample purity was taken into account

Average (experiments A to C): 178 mg/L
Average pH: 4.3 ¹⁾ 
Relative standard deviation: 0.3 %

1) measured pH of the solution, resulting from 3 experiments each