(Z)-N-(3-ammoniopropyl)-N'-[3-octadecenylamino)propyl]propane-1,3-diaminium acetate

Endpoint summary

Additional information

Appearance/physical state/colour

The sample is a paste in the form of lumps at 22°C and atmospheric pressure.

Melting point/freezing point

The melting point has been determined to 144 ºC.

Boiling point

The boiling point has been determined to 179 ºC.

Density

The relative density is determined to 980 at 20 °C.

Particle size distribution (Granulometry)

Not applicable. According to ECHA’s Guidance on information requirements and chemical safety assessment Chapter R.7a: Endpoint specific guidance: “The study does not need to be conducted if the substance is marketed or used in a non solid or non granular form”.

Vapour pressure

In order to read across with a “worst case scenario” substance the vapour pressure measured on Coco dipropylene triamine (C_8-18dipropylene triamine;CAS#: 91771-18-5), a smaller molecule which could occur in low levels in the to be registered substance, was read acrossed

Partition coefficient

Read across is based on Oleyl tripropylene tetramine (C₁₈tripropylene tetramine, CAS# 67228-83-5) Given that acetate salts increase the water solubility, the partition coefficitent of Oleyl tripropylene tetramine (C₁₈tripropylene tetramine, CAS# 67228-83-5) can be considered as the worst case scenario. The partition coefficient of the test substances is -0.3 at 25.6 °C at pH 6.

Water solubility

According to "Guidance on information requirements and chemical safety assessment Chapter R.7a: Endpoint specific guidance", the critical micelle concentration (CMC) can be considered as the solubility limit. Given that the watersolubility of the acetate salt is higher than the watersolubility of the pure amine the read across is considered as “the worst case scenario”.

Since the substance forms micelles in water, the water solubility is expressed as the critical micelle concentration (CMC), in this case 64 mg/L (pH 7, 23°C).

Surface tension

The CMC is determined to 64 mg/L at pH 7. Also, the surface tension at 1 g/L and pH 7 has been determined to 37 mN/m.

Given that the watersolubility of the acetate salt is higher than the watersolubility of the amine the read across is considered as “the worst case scenario”.

Flash point

According to Guidance on information requirements and chemical safety assessment Chapter R.7a: Endpoint specific guidance, “The flash point is only relevant to liquids and low melting point solids. Therefore, for many substances it is not required.” Therefore, the flammability has been determined instead.

Auto flammability

According to "Guidance on information requirements and chemical safety assessment Chapter R.7a: Endpoint specific guidance":For solids, the test method does not work well for substances with a melting point of <160°C and testing is not required.

Flammability

In the screening test the gas flame was applied for 2 minutes to one end of the substance train, but no ignition and no propagation of combustion occurred. Only melting took place where the substance was exposed to the flame. Therefore the substance is not considered as highly flammable and no further testing is required. Given that the acetate form is considered to have a higher flammability temperature the read across can be considered as a worst case scenario.

Flammability in contact with water

The chemical structure of (Z)-N-(3-aminopropyl)-N'-[3-(9-octadecenylamino)propyl]propane-1,3 diamine acetate does not contain chemical groups, capable of causing the development of a dangerous amount of (flammable) gas (e.g.hydrogen), when in contact with damp air or water. In addition, from experience in handling and use no flammability in contact in water is expected, as the substance is marketed in aqueous solutions. Therefore, the test substance is not considered highly flammable in contact with water.

Flammability (pyrophoric properties)

From the structural formula of (Z)-N-(3-aminopropyl)-N'-[3-(9 octadecenylamino)propyl]propane-1,3 diamine acetate it can be concluded that the substance is not pyrophoric. (Z)-N-(3-aminopropyl)-N'-9-octadecenylpropane-1,3-diamine acetate does not contain any chemical group that might lead to spontaneous ignition shortly after coming into contact with air at room temperature. In addition, from experience in handling and use no ignition in contact with air is expected.

Explosiveness

According to "Guidance on information requirements and chemical safety assessment Chapter R.7a: Endpoint specific guidance", “For the majority of substances, explosivity is not a concern and testing can be waived based on a consideration of the structure.” In chapter R.7a a table (Table R.7.1-28) of chemical groups associated with explosive properties is given. The registered substance does not contain any of these chemical groups. Therefore, based on structure, explosive properties are not expected.

Oxidising properties

According to "Guidance on information requirements and chemical safety assessment Chapter R.7a: Endpoint specific guidance", “For the majority of substances, oxidising properties are not a concern and testing can be waived based on a consideration of the structure.” In chapter R.7a a table (Table R.7.1-29) of chemical groups associated with oxidising properties is given.(Z)-N-(3-aminopropyl)-N'-[3-(9 octadecenylamino)propyl]propane-1,3 diamine acetatedoes not contain any of these chemical groups. Therefore, based on structure, oxidizing properties are not expected.

Additional physico-chemical information

As indicated before, the addition of acetate groups to the polyamines increase their water solubility. The polyamines when dissolved in water take up positive charged hydrogens to become cationic substances. As a consequence the water solution becomes alkaline. With the addition of acetic acid, the cationic substance is already present in the Polyamine acetates, linked to the negatively charged acetate ions. The polyamine acetate substance is therefore more easily soluble in water, which can only be explained from the dissociation of the acetate ions, as without that, uncharged molecules would not be easier soluble. Following the dissociation of the polyamine acetate salts, there is no principle difference after absorption of the polyamine structures following exposure as polyamines as such or as polyamine acetate.