trisodium 3-[{3-[bis(2-carboxylatoethyl)amino]propyl}(C12-18-(even numbered) and C18-(unsaturated) alkyl)amino]propanoate

Endpoint summary

Description of key information

No data is available on the toxicokinetics, metabolism and distribution of β-Alanine, N-(2-carboxyethyl)-N-[3-[(2-carboxyethyl)amino]propyl]-, N-C12-18-alkyl derivs., trisodium salt. Based on the toxicological profile of the substance this information is not considered as a requirement. The information in this chapter has therefore been derived based on the physicochemical properties of the substance.

 

Key value for chemical safety assessment

Bioaccumulation potential:

low bioaccumulation potential

Absorption rate - oral (%):

50

Absorption rate - dermal (%):

50

Absorption rate - inhalation (%):

100

Additional information

Structurally, the substances within the amphoteric, proprionates such as β-Alanine, N-(2-carboxyethyl)-N-[3-[(2-carboxyethyl)amino]propyl]-, N-C12-18-alkyl derivs., trisodium salt have a linear alkyl chain and one carboxymethylated nitrogen at the end, with in this case 2 carboxyethylated amines in between. Under physiological conditions all nitrogens are positively charged as they are proton acceptors. The carboxylic groups acts as proton donors and are protonated only at lower pH. This results in different overall charge of the molecule depending on the pH; at lower pH the net charge is positive and at neutral or higher pH the overall charge is negative. This gives a structure consisting of a charged part with the carboxyethylated nitrogens and an apolar tail. The apolar carbon chain could easily dissolve in membranes, whereas the polar head would stay in the outside. As a consequence, the whole molecule will not easily pass membrane structures.

 

β-Alanine, N-(2-carboxyethyl)-N-[3-[(2-carboxyethyl)amino]propyl]-, N-C12-18-alkyl derivs., trisodium salt has a molecular weight of 524 g/Mol and a log Kow of -2.74. It is very water soluble manufactured and sold as a ca. 30% solution in water with a low vapour pressure of 1.5 mPa at 20°C. The non-toxicological profile of the substance results in that is does not have to be classified nor labeled according to the Regulation (EC) No 1272/2008 on classification, labeling and packaging of substances and mixtures.

 

Absorption via oral route is considered to be complete and by dermal route low, based on the substance being a salt which easily dissociates in water. As a worst case, absorption via the inhalational route is also considered to be complete, although exposure to the substance via inhalation is very unlikely based on the physical appearance of the substance. The substance is not considered to have a potential for bioaccumulation, based on its hign water solubility properties and the low Kow value.

 

Oral absorption

No actual data on the toxicokinetic properties of the amphoteric, proprionates in particular for β-Alanine, N-(2-carboxyethyl)-N-[3-[(2-carboxyethyl)amino]propyl]-, N-C12-18-alkyl derivs., trisodium salt are available. Due to no actual oral absorption data on any of the substances within the group, the default 50% is used in the risk assessment.

 

Absorption of inhaled compound

The substances are manufactured, marketed and handled as aqueous solutions. Together with the relatively low vapour pressure, inhalational exposure is considered to be very limited. As a worst case, absorption via the inhalational route is considered to be 100%, although exposure to the substance via inhalation is unlikely based on the physical appearance of the substance.

 

Dermal absorption

The partition coefficient (Log Kow) at 2/.74 indicates that the substance is not sufficiently lipophilic to cross the stratum corneum. This is further supported by the fact that the water solubility is high for this substance. All this taken together and in combination with the high molecular weight, the dermal absorption is considered to be low. But due to no relevant data on the substance, the default 50% is used in the risk assessment.