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Diss Factsheets
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EC number: 282-784-6 | CAS number: 84418-71-3
- 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
One reliable key study is available on the registered mixture. The experimental value of Log Pow have been determinated on the two main components of the test item to be <-2.07 for the monoester and -0.235 for the diester at 22.5°C and a pH of 5 (corresponding to the maximum partition coefficient under environmental conditions). The weighted average of both values to the composition rates have been calculated to be - 0.93 for the purposes of chemical risk assessment, classification and labelling and PBT assessment.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.93
- at the temperature of:
- 22.5 °C
Additional information
The determination of the partition coefficient was measured on the two main components of the registered mixture, the monoester and the diester, using an HPLC estimation method, according to the method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and the method 107 of the OECD Guidelines for testing of Chemicals, 13 April 2004 and compliant with GLP. No deviation from the guidelines were observed.
A preliminary assessment of the partition coefficient was calculated using KOWWIN model. The definitive test was performed with the experimental shake flask method at pH 5. Based on the acidic profile of the two dominant components present in the test item, this pH resulted in maximum possible partition coefficient values within the environmentally relevant pH range of 5 to 9.
Six partitions were performed by inversion of the flasks and aliquots of both phases were taken for analysis by HPLC-MS. Calculations were performed individually for the monoester and the diester component peaks of the test item by interpolation from the relevant calibration curve.
The values obtained at 22.5°C by shake flask method were log Pow -2.07 for the monoester component and -0.235 for the diester component.
Regulatory guidance documents raise caution for the use of the shake-flask method for the determination of partition coefficient for surface active substances due to possible interferences. However no evidence of micelle formation or emulsification was observed in either the water solubility or partition coefficient test, phase separation was achieved with ease and the consistency of the phase concentrations on analysis and the mean mass balance recoveries of 104 and 97.3% for the monoester and diester components respectively also demonstrated that no significant concentration of test item had accumulated at the phase boundary. Final supportive evidence for the validity of the experimental partition coefficient was obtained from the consistency with the computer estimated values of partition coefficient at pH 5 of log10Pow<-1.94 and log10Pow0.08 for the monoester and the diester components, respectively.
Based on the weighted average with the composition rates of its two main components, a partition coefficient value of -0.93 at 22.5°C was assessed for the registered mixture for chemical risk assessment, classification and labelling and PBT assessment purposes.
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.
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