Registration Dossier
Registration Dossier
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EC number: 904-153-2 | CAS number: -
Endpoint summary
Administrative data
Link to relevant study record(s)
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.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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