Reaction mass of 1,3-dioxane-5,5-dimethanol and 1,3-Propanediol, 2-(hydroxymethyl)-2-[(methoxymethoxy)methyl]-

Endpoint summary

Description of key information

Short description of key information on bioaccumulation potential result: 
Theoretical assessment of the toxicokinetic properties of the major 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

Absorption rate - oral (%):

50

Absorption rate - dermal (%):

50

Absorption rate - inhalation (%):

100

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 it 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, without the need for additional specific testing

Theroetical assessments of the toxicokinetic properties of the major 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.

The reaction mass of 1,3 -propanediol, 2-(hydroxymethyl)-2-[(methoxymethoxy)methyl]- and 1,3-dioxane-5,5-dimethanol contains two major components; 1,3-dioxane-5,5 -dimethanol (CPF) and 2-(hydroxymethyl)-2-(methoxymethoxy) methyl)-1,3-propanediol (PeMeFormal). Toxicity data are provided for the substance reaction mass of 1,3 -propanediol, 2-(hydroxymethyl)-2-[(methoxymethoxy)methyl]- and 1,3-dioxane-5,5-dimethanol, a theoretical toxicokinetic assessment is made for the individual components.

1,3-dioxane-5,5-dimethanol (CPF) toxicokinetics

Absorption

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

Distribution

CPF 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

CPF can be predicted to be extensively metabolised by a combination of hydrolytic and oxidative reactions. The OECD QSAR Toolbox predicts a total of 29 low molecular weight hepatic metabolites

Excretion

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

1,3-Propanediol, 2-(hydroxymethyl)-2-[(methoxymethoxy)methyl](PeMeFormal) toxicokinetics

Absorption

Based on an assessment of its physicochemical properties, this component is likely to be extensively absorbed following oral and inhalation exposure. Dermal absorption is also likely but may be less extensive.

Distribution

The substance 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

The substance can be predicted to be extensively metabolised by a combination of ester hydrolytic and sequential alcohol oxidative reactions to produce a large number of low molecular weight and water soluble hepatic metabolites.

Excretion

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