Dibenzyldimethylammonium chloride

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2019

Report date:

2019

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Dibenzyldimethylammonium chloride

EC Number:

202-903-7

EC Name:

Dibenzyldimethylammonium chloride

Cas Number:

100-94-7

Molecular formula:

C16H20N.Cl

IUPAC Name:

dibenzyldimethylammonium chloride

Test material form:

solid: crystalline

Results and discussion

Water solubility

Water solubility 1

Key result

Water solubility:

>= 80 - < 84.7 other: g/100 g

Temp.:

23 °C

pH:

>= 2.9 - <= 3.7

Water solubility 2

Key result

Water solubility:

>= 80 - < 84.7 other: g/100 g

Temp.:

20 °C

pH:

>= 2.9 - <= 3.7

Any other information on results incl. tables

The following mixtures were prepared:

Weight of test item  [g]	Amount of water added [g]	Sample size [g/100g]	Ratio	Observation	pH
1.04818	9.04834	10.38	1:9*	completely dissolved after shortly shaken by hand; clear, colorless, and homogeneous solution/mixture	3.7
3.49873	3.71491	48.50	1:1	completely dissolved afterrolling overnight; clear, colorless, and homogeneous solution/mixture	3.0
3.04100	2.0265	60.01	6:4	completely dissolved afterrolling overnight; clear, colorless, and homogeneous solution/mixture	3.0
3.54485	1.81586	66.13	65.35	completely dissolved afterrolling overnight; clear, colorless, and homogeneous solution/mixture	2.9
3.47862	1.48869	70.03	7:3	completely dissolved afterrolling overnight; clear, colorless, and homogeneous solution/mixture	2.9
3.75219	1.26808	74.74	75:25	completely dissolved afterrolling overnight; clear, colorless, and homogeneous solution/mixture	2.9
3.99565	0.99915	80.00	8:2	completely dissolved afterrolling overnight; clear, colorless, and homogeneous solution/mixture	2.9
4.28451	0.77213	84.73	85:15	not completely dissolved afterrolling overnight	**
4.51319	0.53138	89.47	9:1	not completely dissolved afterrolling for two days	**
				Water used:	6.4

*Mixture from the pre-testing

** pH of these mixtures was not measureable.

Remark:

When mixing test item with water, cooling of the mixture was observed. The viscosity of the mixtures increased with increasing concentrations of test item.

The dissolved preparations (ratios 1 :9 - 8:2) were conditioned at 20 °C.

After conditioning over the weekend at 20.0 °C ± 0.5 °C, no changes were observed.

The undissolved preparations were heated overnight at 30 °C, then overnight at 50 °C and after that conditioned at 20 °C to investigate whether it is possible to produce saturated

solutions suitable for performing the flask method:

Ratio	Overnight at 30 °C	Overnight at 50 °C	Overnight at 20 °C
85:15	not completely dissolved; supernatant liquid phase viscous	completely dissolved; mixture viscous	completely dissolved; mixture viscous
9:1	not completely dissolved; supernatant liquid phase viscous	not completely dissolved; undissolved amount decreased	undissolved, viscous mass without supernatant

Due to the fact that it was not possible to prepare samples with a liquid phase and a surplus of undissolved test item, the water solubility can only be estimated from the visual method.

The water solubility of the test item is > 80.0 g/100 g < 84.7 g/100 g (m_{test item}/ m_mixture) at room temperature (T = 23 °C) and at T = 20.0 °C ± 0.5 °C.