Registration Dossier
Registration Dossier
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EC number: 276-038-9 | CAS number: 71808-53-2
Endpoint summary
Administrative data
Link to relevant study record(s)
Description of key information
Exposure to the substance is unlikely by inhalation due to the extremely low vapour pressure. Ingestion is not a likely route of exposure and the corrosive effects would limit accidental oral exposure. The corrosive properties of the substance will also limit the potential for repeated or prolonged skin exposure so dermal absorption should be limited. No test data is available on the toxicokinetics, metabolism and distribution of C12-18-alkylbis(hydroxyethyl)methyl, chloride (CAS no 71808-53-2). The information in this chapter has therefore been derived based on the physicochemical properties of the substance and information from QSAR models, i.e. QSAR Toolbox (v.3.1) and EpiSuite (v. 4.1) and information on bioaccumulation potential from the chapter on environmental fate and pathways.
C12 -18 -alkylbis(hydroxyethyl)methyl, chloride (CAS no 71808 -53 -2) has a molecular weight of 280 – 330 g/Mol, a log Kow of -0.12 and pKa value of 13.26 for the OH group. It is a water soluble cationic substance which will sorb strongly to negatively charged surfaces. The vapour pressure is considered to be lower than of 0.00073 Pa at 20°C.
Key value for chemical safety assessment
- Bioaccumulation potential:
- low bioaccumulation potential
Additional information
No test data is available on the toxicokinetics, metabolism and distribution of C12-18-alkylbis(hydroxyethyl)methyl, chloride (CAS no 71808-53-2). The information in this chapter has therefore been derived based on the physicochemical properties of the substance, information from QSAR models, i.e. QSAR Toolbox (v.3.1) and EpiSuite (v. 4.1)and information on bioaccumulation potential from the chapter on environmental fate and pathways.
C12-18-alkylbis(hydroxyethyl)methyl, chloride (CAS no 71808-53-2)has a molecular weight of 280 – 330 g/Mol, a log Kow of -0.12 and pKa value of 13.26 for the OH group. It is a water soluble cationic substance which will sorb strongly to negatively charged surfaces. The vapour pressure is considered to be lower than of 0.00073 Pa at 20°C.
The substance displays a cationic surfactant structure which leads to high adsorptive properties to negatively charged surfaces, such as cellular membranes. The apolar tail will easily dissolve in the membranes, whereas the polar head of the substance causes disruption and leakage of the membranes leading to cell damage or lysis of the cell content. As a consequence, the whole molecule will not easily pass membrane structures. Cytotoxicity at the local site of contact through disruption of cell membrane is considered to be the most prominent mechanism of action for toxic effects. Corrosion is the first visible effects upon exposures: Substance has shown to be corrosive to skin after dermal exposure and corrosive to stomach in oral dosing studies. In repeated oral dosing studies these local gastrointestinal effects were occurring before systemic effects could be observed.
Ingestion is not a likely route of exposure and the corrosive effects would limit accidental oral exposure. Cross reading from other comparable quat structures indicates that absorption via oral route is low, the same is also estimated in the QSAR Toolbox (v.3.1), but due to no actual test data on the substance C12-18-alkylbis(hydroxyethyl)methyl, chloride (CAS no 71808-53-2), a worst case approach is taken and the default 100% is used in the risk assessment.
Due to the corrosive nature of C12-18-alkylbis(hydroxyethyl)methyl, chloride (CAS no 71808-53-2), the required risk management measures to handle them should minimise the potential for contact with the skin. However due to the corrosive properties which would compromise the barrier properties of the skin, possible exposure to the test substance would have to be assumed to result in 100% absorption. For formulations containing the test substance at a non-corrosive concentration, the low octanol water partition coefficient of Log Kow -0.12 would reduce its potential for being absorbed.
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