Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 293-883-9 | CAS number: 91648-24-7
Endpoint summary
Administrative data
Link to relevant study record(s)
Description of key information
Specific studies of toxicokinetics are not available; however a theoretical assessment of toxicokinetic properties of the substance is presented.
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
The substance 1,3-propanediol, 2,2- bis(hydroxymethyl) -, allyl ether consists of two main components, namely triallyl pentaerythritol ether and diallyl pentaerythritol ether. Separate assessments are made for these individual components.
Absorption
The triallyl ether has a molecular weight of 256, a Log Pow of 3.0 and is of relatively low water solubility (2.3 g/L). These properties indicate that oral absorption is likely. This component is also predicted to be bioavailable by Lipinski’s rules (OASIS). Acid hydrolysis of the ether linkage is predicted (OECD QSAR Toolbox), indicating that the component may be hydrolysed under the pH conditions encountered in the stomach, and that systemic exposure may be at least in part due to the hydrolysis products. The diallyl ether has a molecular weight of 216, a Log Pow of 1.5 and is of moderate water solubility (12 g/L). These properties indicate that oral absorption is likely. This component is also predicted to be bioavailable by Lipinski’s rules (OASIS). Acid hydrolysis of the ether linkage is predicted (OECD QSAR Toolbox), indicating that the component may be hydrolysed under the pH conditions encountered in the stomach, and that systemic exposure may be at least in part due to the hydrolysis products. Clinical signs in the acute oral toxicity study and findings in the OECD 422 screening study (organ weight changes) suggest systemic absorption following oral exposure.
No data are available for dermal absorption; for the purposes of DNEL derivation, the dermal absorption is considered to be equivalent to oral absorption.
No data are available for inhalation absorption; for the purposes of DNEL derivation, the inhalation absorption is considered to be 100% (twice the level of oral absorption).
Distribution
Data from the OECD 422 screening study (increased liver and kidney weights) indicate that the substance and/or its metabolites are distributed systemically.
Metabolism
Metabolism simulators (OECD Toolbox v4) predict limited metabolism for the triallyl and diallyl ether components, through oxidation of the hydroxyl groups.
Excretion
No data are available on the excretion of either component; however the increased kidney weights reported at the highest dose level in the OECD 422 screening study indicate that renal excretion may occur. This is consistent with the molecular weight and water solubility of the components and their predicted metabolites.
Bioaccumulation
Based on the physiochemical properties of the components and the predicted metabolism, bioaccumulation is considered to be 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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
