Reaction mass of sodium 3-{[3-(diethylamino)propyl]carbamoyl}-2-(dodecylamino)propanoate and sodium 3-{[3-(diethylamino)propyl]carbamoyl}-3-(dodecylamino)propanoate

Endpoint summary

Additional information

Summary of relevant physico-chemical properties of the substance :

Endpoint	Data
Appearance	The substance as placed on the market (mixture, 45%w/w of water) is a gel, colourless to light yellow, translucent to slightly opaque. The substance, as marketed, is considered as a liquid for chemical safety assessment
Melting range	On the CHIMEXANE HB lyophilised, a melting range was determined between 163 and 166°C at atmospheric pressure. On the CHIMEXANE HB as marketed, i.e. containing 45% of water, the melting point occurred progressively between -50°C and 7.5°C.
Boiling point	On the CHIMEXANE HB lyophilised a boiling point of 259°C was determined at atmospheric pressure. On the CHIMEXANE HB as marketed, i.e. containing 45% of water : DSC and capillary method showed an effect resembling to a boiling point at approximately 138°C.
Relative density	On the CHIMEXANE HB lyophilised, D (20°C/4°C) = 1.02
Granulometry	Study scientifically unjustified.
Vapour pressure	The vapour pressure of the CHIMEXANE HB lyophilised was determined to be 8.5 x 10 -3 Pa at 20.0 °C, 1.2 x 10 -2 Pa at 25 °C , 7.0 x 10 -2 Pa at 50°C and 0.308 Pa at 75°C (the latter is an extrapolation).
Log Kow	log Pow (estimation) = 4.491 at room temperature
Water solubility	The critical micelle concentration (CMC) of CHIMEXANE HB (lyophilized) was determined to be 158.4 mg/L. This value was considered as the minimum water solubility of the substance.
Surface tension	The surface tension of a 1000 mg/L aqueous solution of CHIMEXANE HB (lyophilized) was determined to be 30.08 mN/m. The  CHIMEXANE HB (lyophilized) is classified as surface-active substances.
Self-ignition temperature	Study scientifically unjustified
Flammability	Flash point of the substance at 45% in aqueous solution as manufactured and marketed was performed : No flash point could be detected up to 100 °C. Not Flammable lilquid (CLP)   Flammable solids, in contact with water and in air : waived
Explosiveproperties	Not explosive (based on chemical structure).
Oxidising properties	No oxidising properties (based on chemical structure).
Stability in organic solvents	Stable in 2 -propanol at 50°C over a period of 120 hours No stable test design could be established with n-hexane. Test item losses of 19-55% at 50°C over a period of 120 hours were observed. However, no chemical explanation could be given for the test item losses and the changes in study design (concentration, test container and sample preparation) lead to changes in the test item recovery. It was concluded that irreversible adsorption of the test item to the test container walls might be the most probable reason for test item elimination.
Dissociation constant	pKa : 4.5 - 5.9
Viscosity	Study technically not feasible (CHIMEXANE HB as placed on the market with 45% of water, is very ductile)