Registration Dossier
Registration Dossier
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EC number: 260-694-8 | CAS number: 57357-85-4
Endpoint summary
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
- Bioaccumulation potential:
- low bioaccumulation potential
Additional information
Toxicokinetic analysis of (+)-3-Aminomethylpinan
The test substance is a liquid at room temperature with a molecular weight (MW) of 167.29 g/mol, a low water solubility of 0.51 g/L at 20 °C and a log Pow of 0.5 (BASF SE, 1990; BASF SE, 2016a, BASF, 2016b). Based on its structure, no surface activity is expected.
Absorption
After oral uptake, the chance of systemic absorption through the gastro-intestinal (GI) barrier depends on the physico-chemical properties of the substance. For a conclusive judgment on the substance´ potential to reach systemic circulation, important physico-chemical factors such as molecular weight, water solubility and the log Pow value should be considered. The substance is hydrophilic (log Pow 0.5) and has a water solubility of 0.51 g/L. In combination with a molecular weight (MW) of 167.29 g/mol, the substance will dissolve into the GI fluids to a certain extent (BASF SE, 1990; BASF SE, 2016a, BASF, 2016b). Limited absorption could occur either by transporter mediated uptake or by passive diffusion via aqueous pores.
According to the low vapor pressure of 0.0086 hPa at 20 °C of the liquid (+)-3-Aminomethylpinan (BASF SE, 2016a), exposure to the test substance as vapor is very limited if handled at room temperature. Inhaled vapours may reach the alveolar region of the respiratory tract. It can be assumed, that if inhaled, the test substance will dissolve in the mucus of the respiratory tract and could be absorbed.
Considering the hydrophilic character and the low solubility in combination with its liquid state, the test substance will readily cover the skin surface. Dermal uptake of substances < 100 g/mol is favored. The MW of the test substance of 167.29 g/mol hinders dermal absorption. According to the solubility (0.51 g/L) a very limited dermal uptake can be anticipated. Furthermore, due to the log Pow of 0.5 (BASF SE, 1990; BASF SE, 2016a, BASF, 2016b), the penetration into the stratum corneum and hence dermal absorption will be limited. The corrosive properties of the substance have to be considered, since damaging the barrier function of the skin may lead to enhanced penetration and possibly followed by an increased systemic uptake of the test substance.
Distribution
Based on the physico-chemical properties of the substance, it is likely, that absorbed molecules will be distributed throughout the body via blood stream and/or interstitial fluid, indicating a wide diffusion. Considering the log Pow of 0.5 (BASF SE, 1990), storage in lipid rich tissues, e.g. fat or passage through dedicated barriers, e.g. blood-brain barrier is unlikely.
Metabolism
The molecular structure of the substance does not resemble to molecules within the scope of a physiological nutrition. Therefore, it can be assumed, that the main metabolism of absorbed substance molecules takes place in the liver via dedicated xenobiotic-degrading enzymes.
Excretion
Considering the assumed limited absorption of the substance, the main excretion route of the substance would be via feces. The excretion is complemented by renal excretion of liver-derived degradation/modification products.
Summary
Based on its physico-chemical properties systemic availability of (+)-3-Aminomethylpinan is unlikely. When taken up by the oral route, the substance is likely to be absorbed through the walls of the gastrointestinal tract by absorption and/or diffusion. However, it can be assumed, that the absorption is limited. The physico-chemical properties do not favor transdermal absorption. Considering the low vapor pressure of the test substance it is expected to be non-inhalable under normal use conditions. The substance is expected to be distributed and metabolized within the body if becoming systemically available. However, based on the chemical characteristics intestinal excretion is assumed to be the major route followed by renal excretion. According to the physico-chemical properties of the test substance, bioaccumulation is unlikely.
References
BASF SE (1990), Analysebericht, unpublished report
BASF SE (2016a), Physico-chemlcal properties of "(+)-3-Arnlnomethylplnan", unpublished report
BASF SE (2016b), Water Solubility of "(+)-3-Aminomethylpinan", unpublished report
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