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EC number: 280-445-7 | CAS number: 83411-71-6
- 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
log Koc = 3.64 at pH 1.8
log Koc = 1.42 at pH 7
Key value for chemical safety assessment
- Koc at 20 °C:
- 26.3
Additional information
The key study is based on the calculation of log Koc with a QSAR. Indeed, the determination of the adsorption coefficient wasn't possible by the HPLC estimation method, Method C19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001. The method is not considered valid for strong organic acids and also may not be valid for surface active substances. Therefore in place of experimental data, an estimate of the adsorption coefficient was obtained by calculation using Quantitative Structure Activity Relationships (QSAR’s), the details of which are provided in the technical guidance documents in support of Commission Directive 93/67/EEC on risk assessment for new substances. The QSAR procedure was considered a more appropriate and valid option for addressing the adsorption coefficient of the test item, as the overall result was obtained from an experimentally determined value of partition coefficient and the correlation between partition coefficient and adsorption coefficient, specifically for the chemical class of organic acids. Although, the result of log Koc at pH 1.8 will have to be taken with some precaution as the partition coefficient was outside the validated range for the equation.
Using a QSAR calculation, the adsorption coefficient of the test item was estimated to be log Koc 3.64 at pH 1.8. The value isn't relevant according the environmental pH (5 to 9). Indeed, the test item is un-ionized for pH below 1.26 (according to the predicted dissociation constant value obtained with SPARC). The log of the partition coefficient was calculated to be 1.83 at pH 7. This value is relevant according to the environmental pH. The log Koc at pH 7 obtained with the equation above is : 1.42.
LogKoc: 1.42; Koc = 26.3
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