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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
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EC number: 200-929-3 | CAS number: 76-05-1
- 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
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Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Partition coefficient Log Kow = 0.79 (+/-0.48) (estimated)
Worst-case for CSA due to dissociation.
Low potential for bioaccumulation.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.79
- at the temperature of:
- 25 °C
Additional information
An experimental study was provided, that was disregarded as the substance was dissociated under the test conditions.
The partition coefficient of TFA was therefore estimated using QSAR calculation. Three models, using different methodologies, were run, one was considered as valid, the two others not assignable. As a general rule, QSARs refer to the undissociated form of the molecule (log Kow definition), except for SPARC, which calculates log D as a function of pH; for this model, the value at pH=0 was retained, to allow comparison. A total of 10 consistent results was obtained, within the range 0.21-1.78, which is significantly below the threshold of 4, with regard to classification criteria (long-term aquatic toxicity). The arithmetical mean value of these 10 results (0.79 +/-0.48) will be retained. It should also be noticed that this mean is consistent with the value of the valid QSAR (0.50 +/-0.48).
However, it should be noted that this is not relevant at environmental pH range, where it is well-known that ionised substances are less lipophilic and less adsorbed. This is confirmed by the lower experimental value (-4.1), and the data obtained with SPARC model (-0.58 at pH 5.5 and above). Nevertheless, the theoretical log Kow is retained as a worst-cas key value for the CSA.
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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