Registration Dossier
Registration Dossier
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EC number: 282-104-8 | CAS number: 84100-23-2
Endpoint summary
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
Additional information
There are no studies available, which assess the absorption or metabolism of 4-tert-butylcyclohexyl acrylate.
The substance is lipophilic (water solubility of 50mg/L, log PoW of 4.8) and consequently might require micellularisation prior to oral uptake. On the other hand, the molecule with a moleculare weight of 210 g/mol might still be small enough to pass through aqueous pores. In any case, the substance is expected to be systemically available after oral uptake. This is also confirmed by the toxicity seen in the oral repeated dose study. Based on the same properties, absorption is also expected after inhalation. Additionally, the low water solubility enhances penetration of the lower airways, since 4-tert-butylcyclohexyl acrylate will not be retained in the mucus of the upper airways. Due to a vapour pressure of 6 hPa, the substance is also available for inhalation. Compared to oral or inhalation, uptake after dermal exposure will likely be lower. The molecular weight of 210 g/mol is already too large for efficient uptake, though not large enough to make it impossible. Absoprtion will more likely be hindered by the poor water solubility and log PoW above 4. 4-tert-butylcyclohexyl acrylate will quickly pass into the stratum corneum, but will not be efficiently transfered into the epidermis. On the other hand, skin sensitization occured, thus proving that dermal uptake is possible.
After absorption, the substance will probably be quickly metabolised by esterases to the corresponding alcohol 4 -tert butylcylcohexanol (CAS 98-52-2) and acrylic acid. This assumption is backed by modelling data from OASIS Times. It is also strongly supported by the fact that the effects after repeated exposure are almost identical for the parent compound and 4 -tert butylcyclohexanol. The observed clinical signs, i.e., twitching, convulsions, occur with both substances almost immediately after exposure and at almost identical doses, thus not only confirming the assumed metabolic pathway per se, but also supporting a fast and likely complete conversion into the metabolite. The NOAELs were 150mg/kg in both cases.
Acrylic acid will be metabolised via b-oxidation and exhaled as CO2. 4 -tert butylcyclohexanol will most likely be glucoronidated (based on predictions by OASIS Times) and renally excreted. The latter is corroborated by the data obtained in the repeated dose studies, in which male rats also showed damage of the kidney (a2u nephropathy). This change was observed in an OECD 422 study with the parent compound as well as in a 28 -day study with the alcohol metabolite.
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