Registration Dossier
Registration Dossier
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EC number: 224-166-0 | CAS number: 4221-80-1
Endpoint summary
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
Additional information
Assessment of the toxicokinetic behavior of test substance:
The test substance (molecular weight of 438.6 g/mol) is a solid material with a logPow of > 6.5 at 23°C (calculated logPow = 10). The water solubility was measured to be below 20 µg/L at 20°C and at pH 6. The calculated vapor pressure is 0.0000000246 Pa at 25°C (EPI Suite v.4.11).
Absorption
Generally the smaller the molecule, the more easily it may be taken up. Molecular weights below 500 g/mol are favorable for absorption; molecular weights above 1000 g/mol do not favor absorption (ECHA GD 7c, 2008). The test article's molecular weight of 438.6 is in the absorbable range. However, its logPow value of > 6.5 suggests that uptake by passive diffusion is not likely. In addition, the water solubility of the test article is very low thus not favoring the substance to be readily dissolved in gastrointestinal fluids. Therefore, based on the physico-chemical parameters, the potential for absorption through the gastrointestinal tract is considered to be low but cannot be entirely be ruled out. In support of low GI absorption are the availably toxicity data obtained after oral exposure. In various repeated dose toxicity studies, no findings of toxicological relevance were reported either in rat or dog. No indications of systemic availability could be obtained in these studies, indicating low systemic availability and low likelihood for bioaccumulation.
For chemicals with a molecular weight < 100 dermal uptake is favored, while chemicals with a molecular weight > 500 have low potential to penetrate the skin. In addition, logPow between 1 and 4 favor dermal absorption (ECHA GD 7c, 2008). Furthermore, if the water solubility is below 1mg/l, the dermal uptake is likely to be low. Based on these parameters, a dermal uptake of the test substance is expected to be low since its molecular weight is close to 500, the water solubility is below 1 mg/l and its logPow is beyond the favorable range. This is in line with the available toxicity data. After dermal application of 10000 mg/kg body weight to rabbits, no deaths occurred, and in a guinea pig sensitization test, none of the tested animals were sensitized after dermal exposure, therefore not giving any indication for dermal penetration.
After short-term exposure by the inhalation route at a dose level of 448 mg/m³, no deaths occurred, indicating that the absorption and systemic availability after inhalation might be low as well. Inhalative exposure to vapors is not of relevance as the substance has a very low vapor pressure.
Metabolism
The substance was tested negative in genotoxicity tests, i.e. there is no indication of a reactivity of the test substance or its metabolites with biomacromolecules under the chosen test conditions.
Excretion
The excretion pathway is largely dependent on molecular size, polarity and water solubility. Therefore, the parent compound is expected to be excreted mainly via feces. Potential metabolites are either excreted via feces or urine, depending on their molecular size and water solubility after phase II metabolism.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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