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EC number: 451-160-7
CAS number: 17913-76-7
experimental data are available on toxicokinetics of 2,4,7,9-tetramethyldecane-4,7-diol.
Thus, the toxicokinetic assessment is mainly based on physicochemical
log Kow of 3.8, water solubility of 1.57g/L and the molecular weight of
230.39 g/mol are suggestive of oral absorption from gastro-intestinal
tract, by dermal route or from the lungs.
absorption from the gastrointestinal tract is implicit from the effects
observed in the repeat dose oral toxicity study. Given its log Know of
3.8, its moderate water solubility and its molecular weight of <500 Da,
absorption might be expected following ingestion or inhalation exposure.
Moderate dermal absorption might be expected, and this is likely to be
enhanced by its surface-active properties.
chemical safety assessment an oral absorption rate of 50% is assumed as
a worst case default value in the absence of other data in accordance
with the Guidance on information requirements and chemical safety
chemical safety assessment a dermal absorption rate of 50% is assumed as
a worst case default value (same absorption rate as via the oral route)
in accordance with the Guidance on information requirements and chemical
chemical safety assessment an inhalation absorption rate of 100% is
assumed as a worst case default value in the absence of other data in
accordance with the Guidance on information requirements and chemical
evidence of systemic target organ toxicity was seen in repeat dose
studies in rats given 2,4,7,9-tetramethyldecane-4,7-diol
the oral route. Toxicity seen in the liver at the highest dose tested is
likely the result of compensatory or adaptive response to high doses
administered however it is also an indication of some minor distribution
of the compounds to highly perfused tissues such as the liver. Based on
the relatively high degree of water solubility it is unlikely thatthe
accumulate in body fats and/or breast milk.
is very difficult to predict the metabolic changes a substance may
undergo on the basis of physico-chemical information alone. The
metabolism simulator included in QSAR toolbox was used to predict
possible metabolites. 2,4,7,9-tetramethyldecane-4,7-diol
expected to be oxidised at the terminal methyl-groups (see attachment),
where it could be further functionalised (e.g. by conjugation).
major routes of excretion for substances from the systemic circulation
are the urine and/or the faeces.Moderate
water-solubility and low molecular weight (< 300 g/mol) are favourable
physicochemical properties for urinary excretion. It can be reasonably
assumed, that the substances and their metabolites are excreted via the
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