1,1,3-trimethylindan-4-amine

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

11 Mar - 19 Jun 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:

Hess. Ministerium für Umwelt, Klimaschutz, Landwirtschaft und Verbraucherschutz, Wiesbaden, Germany

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

1,1,3-trimethyl-2,3-dihydro-1H-inden-4-amine

EC Number:

838-724-1

Cas Number:

94568-76-0

Molecular formula:

C12H17N

IUPAC Name:

1,1,3-trimethyl-2,3-dihydro-1H-inden-4-amine

Results and discussion

Water solubility

Water solubility 1

Water solubility:

400 mg/L

pH:

6.7

Remarks on result:

other: solubility in distilled water. RSD: 1.9 %. measured pH of the solution, resulting from 3 experiments.

Water solubility 2

Water solubility:

428 mg/L

pH:

7

Remarks on result:

other: solubility in buffer pH 7. RSD: 14.8 %. 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
101.2 mg	0.1	undissolved ^1)
	0.5	undissolved ^1)
	1.0	undissolved ^1)
	2.0	undissolved ^1)
	10	undissolved ^1)
	100	undissolved ^1) 2)

1) The mixture was shaken 2) sonicated for 30 min
Increasing amounts of distilled water were added to approx.10 mg of the liquid test item. The mixtures were shaken and sonicated for 30 minutes.

Table: Appearance of the test mixtures

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

1) the mixture was shaken 2) sonicated for 30 minutes

Result:
The liquid test item (13.7 mg) was completely dissolved in a volume of 500 mL. Thus, the approximated solubility of the test item in distilled water was between 20 mg/L and 100 mg/L. Therefore, the solubility in distilled water had to be determined by the "flask method".

Visual Estimation of the Water Solubility at pH 7
Increasing amounts of buffer pH 7 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
107.0 mg	0.1	undissolved ^1)
	0.5	undissolved ^1)
	1.0	undissolved ^1)
	2.0	undissolved ^1)
	10	undissolved ^1)
	100	undissolved ^1) 2)

1) The mixture was shaken 2) sonicated for 30 min
Increasing amounts of buffer pH 7 were added to approx.10 mg of the liquid test item. The mixtures were shaken and sonicated for 30 minutes.

Table: Appearance of the test mixtures

Amount of test item	Added volume of distilled water (mL)	Appearance of mixture
11.4 mg	100	undissolved ^1) 2)
13.2 mg	500	undissolved ^1) 2)
10.0 mg	1000	dissolved ^1) 2)

1) the mixture was shaken 2) sonicated for 30 minutes

Result:
The test item (10.0 mg) was completely dissolved in a volume of 1000 mL. Thus, the approximated solubility of the test item in buffer pH 7 was between 10 mg/L and 20 mg/L. Therefore, the solubility in buffer pH 7 had to be determined by the "flask method".

Solubility in distilled water: Results

Experiment	1	2	3	4 (Blank)
Amount of test item [mg]^1)	24.2	24.0	18.7	-
Stirring time at 30 °C [h]	24	48	72	72
pH at room temperature	6.67	6.69	6.59	6.01
Solubility in distilled water [mg/L] ^2)	393	408	399	-

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

Average (experiments 1 to 3): 400 mg/L
Average pH: 6.7
Relative standard deviation: 1.9 %

Water Solubility at pH 7: Results

Experiment	1	2	3	4 (Blank)
Amount of test item [mg]^1)	21.0	24.6	23.2	-
Stirring time at 30 °C [h]	24	48	72	72
pH at room temperature	7.02	7.02	7.02	7.02
Solubility in distilled water [mg/L] ^2)	355	468	461	-

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

Average (experiments 1 to 3): 428 mg/L
Average pH: 7.0
Relative standard deviation: 14.8 %