Registration Dossier
Registration Dossier
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EC number: 222-376-7 | CAS number: 3452-97-9
Endpoint summary
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
Additional information
Based on information on saturated long chain primary alcohols (c.f. Figure 1 contained in Semino [1998]), the following is expected for 3, 5, 5,-trimethylhexan-1-ol:
Absorption: isononanol is rapidly absorbed from the gastro-intestinal tract. Dermal absorption is expected to be slow, but complete absorption (100%) must be considered on the basis of the document “Guidance on information requirements and chemical safety assessment. Chapter R.7c: Endpoint specific guidance”, because substance specific data are lacking, and default values are to be derived from the molecular weight and Log Pow values.
Biotransformation: isononanol is expected to be a poor substrate for oxidation reactions catalysed by either ADH or AlDH, respectively. ß-oxidation is also hindered by the methyl group in the uneven 3 -position, which prevents further degradation in the citrate cycle. Therefore, significant chain hydroxylation is expected to occur, and the unchanged isononanol and hydroxylated metabolites are expected undergo conjugation reactions. These reactions are likely to account for the majority of the biotransformation.
Excretion: The polar metabolites and conjugates are expected to be excreted mainly via urine and bile. Entero-hepatic circulation of the metabolites excreted via bile is likely to occur (Eisenbrand 2002, Semino 1998).
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