Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Diss Factsheets
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: 205-448-2 | CAS number: 141-02-6
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The KOWWIN model, contained in the EPI Suite tool, was applied to predict the partition coefficient octanol/water. The model is validated and dioctyl fumarate falls into its domain.
Dioctyl fumarate was predicted to have a partition coefficient octanol/water of log Pow = 7.94.
For a similar substance, dibutyl fumarate, an experimentally determined value and a calculated value have been reported, showing that this QSAR calculation results in reliable values.
The log Pow could be relevant for various decisions in ecotoxicological classifications or risk assessments, such as in aquatic toxicity classification or in bioaccumulation estimation or at PBT assessment or for deciding on the necessity to perform soil adsorption studies.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 7.94
Additional information
The partition coefficients log Pow of the dioctyl fumarate was estimated by an Atom/Fragment Contribution Method using the software KOWWIN Version v1.67, contained in the EPI Suite v 3.12 programme of the U.S. Environmental Protection Agency. The model is validated and dioctyl fumarate falls into its domain.
The calculated log Pow is 7.9.
For a similar substance, dibutyl fumarate, an experimentally determined value (HPLC method) and a calcuated value, using the same EPI Suite QSAR, have been reported.
The experimental value for dibutyl fumarate was determined to be 4.62;
the calculated value for dibutylfumarate was reported to be 4.2 ± 0.48.
The comparison of the experimental value and the calculated value for dibutyl fumarate shows that the calculation method is reliable method to determine the partioning coefficient octanol-water.
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.