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EC number: 237-457-2 | CAS number: 13811-50-2
Endpoint summary
Administrative data
Link to relevant study record(s)
Description of key information
Toxicokinetic statement of 1,3-divinylimidazolidin-2-one
Key value for chemical safety assessment
Additional information
Physico-chemical properties
1,3-divinylimidazolidin-2-one (CAS 13811-50-2) is a colourless to yellowish solid with a molecular weight of 138.17 g/mol. The partition coefficient log Pow was determined to be 1.2 at 23 °C. The water solubility was determined to be 9.65 g/L. The melting point is 69°C. The particle size mass media aerodynamic diameter (MMAD) was determined to be 4.9 µm measured in an acute inhalation test.
1.1 Absorption
Generally, oral absorption is favoured for molecular weights below 500 g/mol. This characteristic combined with the moderate log Pow value and the relatively good water solubility allow dissolution of the substance in the gastro-intestinal fluids and contact with the mucosal surface. Additionally, for moderate log Pow values(between -1 and 4) absorption by passive diffusion through the GIT epithelium is assumed after oral intake.Furthermore, the relative low molecular weight and good water solubility may allow the direct uptake into the systemic circulation through aqueous pores or via carriage of the molecules across the membrane with the bulk passage of water. Clinical signs occurred dose dependently at and above 3200 mg/kg bw indicated systemic availability after single application. The oral LD50 was 6987 mg/kg bw.
The substance is more likely to be inhaled in its dust state. Particles with aerodynamic diameters below 15 µm - in this case the substance has a MMAD of 4.9 µm, the substance may reach the alveolar region of the respiratory tract. Furthermore, as the substance has a moderate log Pow the substance is favourable for absorption directly across the respiratory tract epithelium by passive diffusion.
In an acute inhalation study performed in rats, no mortality occurred at the concentration of 5.3 mg/L, the LC50 was determined to be > 5.3 mg/L. However clinical findings in the form of transient body weight reduction and impaired general state indicated systemic availability.
The dermal absorption cannot be derived as no acute dermal toxicity or skin sensitizing data are available.
Taken together, physico-chemical properties and experimental data indicate bioavailability of the test substance via oral and inhalation route.
1.2 Distribution
Assuming that the test substance is absorbed into the body following oral intake and inhalation exposure within the whole body it may be distributed into the interior part of cells due to its log Pow of 1.2 and in turn the intracellular concentration may be higher than extracellular concentration particularly in adipose tissues prior to metabolism.
As mentioned above, the physico-chemical properties, especially the lower molecular weight and relatively high water solubility, favour systemic absorption as the substance. Direct transport through aqueous pores is likely to be an entry route to the systemic circulation. A target organ could not be specified after a single exposure within the acute oral and inhalation studies.
1.3 Metabolism
Based on the available toxicity data no clear statement on metabolism can be provided.
1.4 Excretion
As the molecule has a low molecular weight (below 300 g/mol) and is miscible in water rapid and complete renal excretion may be the major route of elimination. The compound may either directly excreted by urine or further metabolised by enzymes before excretion.
2 Summary
Based on physico-chemical characteristics, particularly water solubility and octanol-water partition coefficient and the available toxicity data absorption via oral and inhalation route is likely to occur. Intracellular concentration is likely to be higher than extracellular due to the low lipophilic property. A conjugation reaction may increase hydrophilicity and metabolites are considered to be not more toxic than the parent molecule. Excretion via urine is assumed to be the main excretion pathway for the parent component the metabolites formed due to their low molecular weight.
3 References
ECHA (2012), Guidance on information requirements and chemical safety assessment, Chapter R.7c: Endpoint specific guidance.
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