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Description of key information

Short description of key information on bioaccumulation potential result: 
Theroetical assessment of the toxicokinetic properties of the components of the substance indicates rapid and extensive absorption and distribution. Extensive hepatic metabolism and urinary excretion of metabolites is likely to limit systemic exposure and no bioaccumulation is predicted.

Key value for chemical safety assessment

Bioaccumulation potential:
no bioaccumulation potential

Additional information

No specific studies are required. According to Column 1 of Annex VIII of the REACH regulation, Assessment of the toxicokinetic behaviour of the substance (to the extent that can be derived from the relevant available information) is required and this is provided. An adequate assessment of the basic toxicokinetics of the components of the substance can be made from the exisiting toxicity data and theoretical considerations, wtithout the need for additional specific testing

Theroetical assessments of the toxicokinetic properties of the three components of the substance indicate rapid and extensive absorption and distribution. Extensive hepatic metabolism and urinary excretion of metabolites is likely to limit systemic exposure and no bioaccumulation is predicted.

Discussion on bioaccumulation potential result:

No specific studies are required. According to Column 1 of Annex VIII of the REACH regulation, Assessment of the toxicokinetic behaviour of the substance (to the extent that can be derived from the relevant available information) is required and this is provided. An adequate assessment of the basic toxicokinetics of the components of the substance can be made from the exisiting toxicity data and theoretical considerations, wtithout the need for additional specific testing.

The Reaction mass of 2-ethylpropane-1,3-diol(DMP) and 5-ethyl-1,3-dioxane-5-methanol(CTF) and propylidynetrimethanol(TMP)

The substance consists of three components:

CTF (5 -ethyl-1,3 -dioxane-5 -methanol)

DMP (2-ethylpropane-1,3-diol)

TMP (propylidynetrimethanol)

The likely toxicokinetic behaviour of each of the components therefore needs to be considered.

CTF toxicokinetics

Absorption

Based on an assesment of its physicochemical properties, CTF is likely to be extensively absorbed following oral and inhalation exposure. Dermal absorption is also likely but may be less extensive. The substance satisifies Lipinski's rule of 5 (OECD QSAR Toolbox).

Distribution

CTF is a water soluble small molecule and is therefore is likely to be rapidly and extensively distributed in the blood following oral, dermal or inhalation exposure.

Metabolism

CTF can be predicted to be extensively metabolised by a combination of hydrolytic and oxidative reactions. The OECD QSAR Toolbox predicts a total of 44 low molecular weight hepatic metabolites.

Excretion

Rapid urinary excretion of the low molecular weight and water-soluble metabolites of CTF is predicted; bioaccumulation is therefore unlikely

TMP toxicokinetics

Absorption

Based on an assesment of its physicochemical properties, TMP is likely to be extensively absorbed following oral and inhalation exposure. Dermal absorption is also likely but may be less extensive. The substance satisifies Lipinski's rule of 5 (OECD QSAR Toolbox).

Distribution

TMP is a highly water-soluble small molecule and is therefore is likely to be rapidly and extensively distributed in the blood following oral, dermal or inhalation exposure.

Metabolism

TMP can be predicted to be metabolised by sequential oxidation of the alchohol groups, in common with related substances; OECD QSAR Toolbox predicts a total of 10 low molecular weight and water-soluble hepatic metabolites.

Excretion

Rapid urinary excretion of the metabolites of TMP is predicted; bioaccumulation is therefore unlikely

DMP toxicokinetics

Absorption

Based on an assesment of its physicochemical properties, DMP is likely to be extensively absorbed following oral and inhalation exposure. Dermal absorption is also likely but may be less extensive. The substance satisifies Lipinski's rule of 5 (OECD QSAR Toolbox).

Distribution

DMP is a highly water-soluble small molecule and is therefore is likely to be rapidly and extensively distributed in the blood following oral, dermal or inhalation exposure.

Metabolism

DMP can be predicted to be metabolised by sequential oxidation of the alchohol groups, in common with related substances; OECD QSAR Toolbox predicts a total of 14 low molecular weight and water-soluble hepatic metabolites.

Excretion

Rapid urinary excretion of the low molecular weight and water-soluble metabolites of DMP is predicted; bioaccumulation is therefore unlikely.