Reaction mass of N,N'-ethylenebis[N-methyl-2-[(1-oxo-9-octadecenyl)oxy]-N-[2-[(1-oxo-9-octadecenyl)oxy]propyl]propylammonium] dimethyl disulphate and [2-[bis(2-hydroxypropyl)amino]ethyl]bis(2-hydroxypropyl)(methyl)ammonium methyl sulphate, dioleate (ester)

Density

Administrative data

Endpoint:

relative density

Type of information:

experimental study

Adequacy of study:

key study

Study period:

01.02.2018 - 24.04.2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 109 (Density of Liquids and Solids)

GLP compliance:

no

Type of method:

buoyancy method

Test material

Test material information

Constituent 1

Reference substance name:

Reaction mass of N,N'-ethylenebis[N-methyl-2-[(1-oxo-9-octadecenyl)oxy]-N-[2-[(1-oxo-9-octadecenyl)oxy]propyl]propylammonium] dimethyl disulphate and [2-[bis(2-hydroxypropyl)amino]ethyl]bis(2-hydroxypropyl)(methyl)ammonium methyl sulphate, dioleate (ester)

EC Number:

916-222-4

Molecular formula:

C51H99N2O6.CH3O4S

IUPAC Name:

Reaction mass of N,N'-ethylenebis[N-methyl-2-[(1-oxo-9-octadecenyl)oxy]-N-[2-[(1-oxo-9-octadecenyl)oxy]propyl]propylammonium] dimethyl disulphate and [2-[bis(2-hydroxypropyl)amino]ethyl]bis(2-hydroxypropyl)(methyl)ammonium methyl sulphate, dioleate (ester)

additive 1

Reference substance name:

Propane-1,2-diol

EC Number:

200-338-0

EC Name:

Propane-1,2-diol

Cas Number:

57-55-6

Molecular formula:

C3H8O2

IUPAC Name:

propylene glycol

Results and discussion

Density

Density 1

Key result

Type:

density

Density:

ca. 0.71 g/cm³

Temp.:

20 °C

Density 2

Key result

Type:

relative density

Density:

ca. 0.71 g/cm³

Temp.:

20 °C

Applicant's summary and conclusion

Conclusions:

The Density, Relative density and Specific gravity at 20oC of test item was found to be 0.7101 ± 0.0523 g/mL, 0.710± 0.0523 and 0.7114 ± 0.0523, respectively. Results are presented in the table 1.

Executive summary:

1.1.1.1         Preparation of 0.25% w/v Wetting Solution saturated with test item (WS)

An accurate weight of 1.2535 g of wetting agent (Tween 80) was weighed into a 500 mL volumetric flask, dissolved and made up the volume to 500 mL with Milli-Q water. To this 0.2013 g of test item was added and sonicated for 15 minutes. The contents were filtered through 0.45 µm filter paper and the filtrate was used as wetting solution (WS). From the time of preparation to the time of using, WS was kept in an incubator maintained at 20 ± 0.5ºC.

1.1.1.2                Determination of Water Equivalent (WE)

Calibrated, clean and dry, density bottles were taken and placed in the constant temperature bath maintained at 20±0.5ºC for 20 minutes. All the capillary stoppers of the wide mouth bottles were taken separately in a glass beaker. The glass beaker containing the capillary stoppers was placed in the same constant temperature bath and maintained at 20±0.5ºC for 20 minutes. After 20 minutes, the bottles were taken out and the outer surface wiped off with tissue paper with minimum handling and then stoppered. The empty weight of the pyknometer along with its respective stopper was recorded. (X, g).

After recording the empty weight of the bottles, the bottles were filled with Milli-Q water, ensuring that no trapped air bubbles were inside. The bottles containing Milli-Q water and the capillary stoppers in glass beaker were placed in the constant temperature bath maintained at 20±0.5ºC for 20 minutes. After 20 minutes, capillary stoppers (which had been placed in the constant temperature bath, in a glass beaker) were inserted taking care to avoid trapping air bubbles. Water on the exterior surface of the bottles was wiped off with tissue paper. The tops of the stoppers were dried by wiping with tissue paper taking care not to withdraw water from the capillary. The weight of the bottle containing water was recorded (Y g). Water equivalent (WE) and volume of density bottles (V) were calculated as follows. Test was carried out in triplicate.

Water Equivalent (g) WE = (Y-X)

X = Weight of empty density bottle

Y = Weight of empty density bottle + water

Volume of density bottle (mL), V =		(Y – X)
		F

Where F = Density of water at 20ºC = 0.99823 g/mL

1.1.1.3                Determination of Density of Wetting Solution (WS)

Clean and dry, density bottles were taken and placed in the constant temperature bath maintained at 20±0.5ºC for 20 minutes. All the capillary stoppers of the wide mouth bottles were taken separately in a glass beaker. The glass beaker containing the capillary stoppers was placed in the same constant temperature bath and maintained at 20±0.5ºC for 20 minutes. After 20 minutes, the bottles were taken out and the outer surface wiped off with tissue paper with minimum handling and then stoppered. The empty weight of the pyknometer along with its respective stopper was recorded (X¢, g).

After recording the empty weight of the bottles, the bottles were filled with 0.25% (w/v) wetting solution saturated with test item ensuring that no air bubbles were trapped inside. The bottles containing 0.25% (w/v) wetting solution were placed in the constant temperature bath maintained at 20±0.5ºC for 20 minutes. After 20 minutes, capillary stoppers (which had been placed in the constant temperature bath, in a glass beaker) were inserted taking care to avoid trapping air bubbles. Water on the exterior surface of the bottles was wiped off with tissue paper. The tops of the stoppers were dried by wiping with tissue paper taking care not to withdraw water from the capillary. The weight of the bottle containing WS was recorded (Y¢g). The density of the wetting solution was calculated as follows. Test was carried out in triplicate.

Density of wetting solution (WS), D (g/mL)		=		(Y¢-X¢)
			V

 

Where V = volume of density bottle (mL)

1.1.1.4                Determination of Density, Relative Density and Specific gravity of the Test Item

Test was carried out in triplicate by using test item as such. The calibrated clean and dry, density bottles were  taken and placed in the constant temperature bath maintained at 20±0.5ºC for 20 minutes. All the capillary stoppers of the wide mouth bottles were taken separately in a glass beaker. The glass beaker containing the capillary stoppers was placed in the same constant temperature bath and maintained at 20±0.5ºC for 20 minutes. After 20 minutes, the bottles were taken out and the outer surface wiped off with tissue paper with minimum handling and then stoppered. The empty weight of the pyknometers along with stoppers was recorded (W g). About 1.5 g of the test item was then introduced into the pyknometer bottle and the weight of the stoppered pyknometer along with test item was recorded (P g).

After recording the weight, the bottle was filled to about half of its capacity with 0.25% (w/v) wetting solution saturated with test item. The bottle along with its contents was placed in the vacuum desiccator until all the air bubbles escaped. After ensuring that there were no air bubbles, the pyknometer was removed from the dessicator, filled up with 0.25% (w/v) wetting solution saturated with test item and placed in the incubator for 20 minutes at
20±0.5ºC. After 20 minutes, capillary stoppers (which had been placed in the constant temperature bath, in a glass beaker) were inserted taking care to avoid trapping air bubbles. Water on the exterior surface of the pyknometer was wiped off with tissue paper. The tops of the stoppers were dried by wiping with tissue paper taking care not to withdraw water from the capillary. The weights of the pyknometers with WS and test item were then recorded.(Qg)

 

 

Then density, relative density and specific gravity were calculated as follows:

Density of the test item(g/mL) at 20^oC		=		Weight of the test item (g)
			Volume of density bottle(V)		–		Volume of wetting solution (mL)

                 Where,  

                       Weight of the test item = P –W (g)

                       Weight of wetting solution, A = Q-P (g)

                       D = Density of wetting solution (g/mL)

                       Volume of wetting solution = A/D (g/mL)

                       V = Volume of density bottle (mL)

                       

Relative Density of the test item		=		Density of test item at 20ºC
			Density of water at 4ºC

 

Specific Gravity of the test item (20^oC/20^oC)		=		Density of test item at 20ºC
			Density of water at 20ºC

Density of water at20°C = 0.99823 g/mL.

Density of water at 4ºC = 0.99997 g/mL.(Lange’s Handbook of chemistry eleventh edition 1973 Published by Mc Graw-Hill, Inc., USA)