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Diss Factsheets
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EC number: 500-047-1 | CAS number: 26316-40-5 1 - 4.8 moles ethoxylated and 1 - 8.5 moles propoxylated
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_toxicological-information.png)
Basic toxicokinetics
Some information in this page has been claimed confidential.
Administrative data
- Endpoint:
- basic toxicokinetics
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR prediction
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Guideline:
- other: REACH guidance on QSARs R.6 May/July 2008
- Principles of method if other than guideline:
- QSAR programs ADMET predictor and Gastro Plus (v8.5, Simulations Plus Inc, Lancaster, CA, USA).
Test material
- Details on test material:
- - SMILES: EDA + 3EO +1PO CC(O)CN(CCN(CCO)CCO)CCO; EDA + 2EO +2PO CC(O)CN(CCN(CC(C)O)CCO)CCO; EDA + 1EO +3PO CC(O)CN(CCN(CC(C)O)CC(C)O)CCO; EDA + 4PO CC(O)CN(CC(C)O)CCN(CC(C)O)CC(C)O
Constituent 1
Results and discussion
Main ADME results
- Type:
- other: fractional absorption (Fa%), bioavailability (F%), maximum plasma concentration (Cmax) at steady state, and area under curve (AUC0-t) values
- Results:
- The major components of Ethylenediamine, ethoxylated and propoxylated (>1 - <8.5 mol of EO and PO) {EDA/EO/PO} were comparable or higher than the corresponding values from the major components of Ethylenediamine, propoxylated (>1 - <8.5 mol of PO).
Any other information on results incl. tables
Domains:Defined by GastroPlus and ADMET Predictor.
i. Descriptor domain:In general, GastroPlusTM(version 8.5) applies only to small organic molecules composed of the following elements: C, N, O, S, P, H, F, Cl, Br, I, B and their isotopes. Other elements (in particular metals) are not supported. In addition, the program limits to certain degree the size and complexity of input molecules to no more than 256 bonds and no more than 20 ionizable groups.
ii. Structural fragment domain:GastroPlusTM(version 8.5) use calculated descriptors for each structure of the individual components of Ethylenediamine, ethoxylated and propoxylated (>1 - <8.5 mol of EO and PO) {EDA/EO/PO} and Ethylenediamine, propoxylated (>1 - <8.5 mol of PO){EDA/PO} as inputs to its predictive models, not structural fragments.
iii. Mechanism domain:GastroPlusTMmodel uses QSAR/QSPR methodology, which is a subset of statistical-correlative modeling. It does not consider mechanisms of action, at least not explicitly.
iv. Metabolic domain:Metabolism is considered relevant and is considered in the assessment.
b. Structural analogues:Ethylenediamine, ethoxylated and propoxylated (>1 - <8.5 mol of ESMKO and PO) {EDA/EO/PO} and Ethylenediamine, propoxylated (>1 - <8.5 mol of PO){EDA/PO} are analogs.
c. Considerations on structural analogues:Ethylenediamine, ethoxylated and propoxylated (>1 - <8.5 mol of EO and PO){EDA/EO/PO} and Ethylenediamine, propoxylated (>1 - <8.5 mol of PO) {EDA/PO} both contain similar C-N-C (amine) and C-O-C (ether) bonds.
Applicant's summary and conclusion
- Conclusions:
- The overall predicted fractional absorption (Fa%), bioavailability (F%), maximum plasma concentration (Cmax) at steady state, and area under curve (AUC0-t) values for the major components of Ethylenediamine, ethoxylated and propoxylated (>1 - <8.5 mol of EO and PO) {EDA/EO/PO} were comparable or higher than the corresponding values from the major components of Ethylenediamine, propoxylated (>1 - <8.5 mol of PO) {EDA/PO} in the 28-day rat oral gavage dose simulation conditions. As the major components of Ethylenediamine, ethoxylated and propoxylated (>1 - <8.5 mol of EO and PO) {EDA/EO/PO} and Ethylenediamine, propoxylated (>1 - <8.5 mol of PO) {EDA/PO} have similar chemical structures, based these QSAR results, it can be predicted that Ethylenediamine, propoxylated (>1 - <8.5 mol of PO) {EDA/PO} should have similar or lower systemic toxicity than Ethylenediamine, ethoxylated and propoxylated (>1 - <8.5 mol of EO and PO){EDA/EO/PO}.
- Executive summary:
Experimental data on bioavailability are not available for the reaction mixtures of Ethylenediamine, ethoxylated and propoxylated (>1 - <8.5 mol of EO and PO){EDA/EO/PO}and Ethylenediamine, propoxylated (>1 - <8.5 mol of PO) {EDA/PO}. To evaluate the oral bioavailability of in rats, the major toxicokinetic parameters of the major components of both mixtures were estimated by the widely accepted QSAR programs ADMET predictor and Gastro Plus (v8.5, Simulations Plus Inc, Lancaster, CA, USA).
The overall predicted fractional absorption (Fa%), bioavailability (F%), maximum plasma concentration (Cmax) at steady state, and area under curve (AUC0-t) values for the major components of Ethylenediamine, ethoxylated and propoxylated (>1 - <8.5 mol of EO and PO) {EDA/EO/PO} were comparable or higher than the corresponding values from the major components of Ethylenediamine, propoxylated (>1 - <8.5 mol of PO) {EDA/PO} in the 28-day rat oral gavage dose simulation conditions. As the major components of Ethylenediamine, ethoxylated and propoxylated (>1 - <8.5 mol of EO and PO) {EDA/EO/PO} and Ethylenediamine, propoxylated (>1 - <8.5 mol of PO) {EDA/PO} have similar chemical structures, based these QSAR results, it can be predicted that Ethylenediamine, propoxylated (>1 - <8.5 mol of PO) {EDA/PO} should have similar or lower systemic toxicity than Ethylenediamine, ethoxylated and propoxylated (>1 - <8.5 mol of EO and PO){EDA/EO/PO}.
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.
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