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EC number: 277-242-0 | CAS number: 73037-34-0
- 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
Ditolylether disulfonic acid disodium salt, isomer mixture is an UVCB substance consisting of positional isomers of two basic structures [sodium salts of disulfonated and trisulfonated ditolylether].
Since variations in the positions of the substituents have influence on calculations by the program, the calculations are performed using representative constituents of ditolylether disulfonic acid disodium salt, isomer mixture (two of each basic structure).
The QSAR determination of the carbon partition coefficient using the model KOCWIN included in the Estimation Program Interface (EPI) Suite v4.1 revealed values of 0.044 to 1.346 L/kg (log Kow method) and 2424 to 82790 L/kg (MCI method) relating to the dissociated and non-dissociated form of representative constituents of ditolylether disulfonic acid disodium salt, isomer mixture, respectively. Estimated pkas are in the range of -1.35 to -0.40, indicating that the ditolylether disulfonic acid disodium salt, isomer mixture exists predominately in its dissociated form at environmentally relevant pH. As Koc values estimated based upon the log Kow method considers the anionic character of ditolylether disulfonic acid disodium salt, isomer mixture the lowest value of 0.044 L/kg is taken into account for further assessment.
Key value for chemical safety assessment
- Koc at 20 °C:
- 0.044
Additional information
For ditolylether disulfonic acid disodium salt, isomer mixture no experimental results describing the adsorption properties are available.
Under environmental relevant pHs, ditolylether disulfonic acid disodium salt, isomer mixture exists predominantly in the dissociated form, based upon its pKa values. At pH 5 to 9, ditolylether disulfonic acid disodium salt, isomer mixture will be deprotonated resulting in the corresponding anion. As deprotonated substances in particular generally have a low adsorption potential, adsorption for the dissociated form of ditolylether disulfonic acid disodium salt, isomer mixture is not expected.
Nevertheless, in order to predict the distribution of ditolylether disulfonic acid disodium salt, isomer mixture between the organic phase of soil or sediments and the porewater calculations were performed using different estimation methods which are incorporated in the Estimation Program Interface (EPI) Suite version 4.1.
The organic carbon partition coefficient (Koc) of the substance was predicted using the Estimation Program Interface (EPI) Suite version 4.1.
Ditolylether disulfonic acid disodium salt, isomer mixture is an UVCB substance consisting of positional isomers of two basic structures [sodium salts of disulfonated and trisulfonated ditolylether].
Since variations in the positions of the substituents have influence on calculations by the program, the calculations are performed using representative constituents of ditolylether disulfonic acid disodium salt, isomer mixture (two of each basic structure).
The representative constituents are:
A) disodium 3-methyl-4-(3-methyl-4-sulfonato-phenoxy)-benzenesulfonate
B) disodium 2-methyl-4-(3-methyl-4-sulfonato-phenoxy)-benzenesulfonate
C) trisodium 2-methyl-4-(2-methyl-4-sulfonato-phenoxy)-benzene-1,3-disulfonate
D) trisodium 2-methyl-5-(3-methyl-4-sulfonato-phenoxy)-benzene-1,3-disulfonate
For estimating Koc, a method based on statistical relationships between Koc and the octanol/water partition coefficient (Kow) was used.
The following estimated log Kow values were used for calculation, as ditolylether disulfonic acid disodium salt, isomer mixture exists predominantly in its dissociated from:
Representative constituent A: log Kow = -2.38
Representative constituent B: log Kow = -1.54
Representative constituent C: log Kow = -4.12
Representative constituent D: log Kow = -3.28
Koc values in the range of 0.044 to 1.346 L/kg were obtained.
Moreover, calculations were performed based upon the molecule structure using the molecular connectivity method yielding Koc values in the range of 2424 to 82790 L/kg (MCI method).
As predictions for a salt cannot be performed by the program, metals (Na) has been removed to allow estimation using the MCI method. Thus, predictions based upon the MCI method, relate to the non-water based parent acids of the representative constituents of ditolylether disulfonic acid disodium salt, isomer mixture in their non-dissociated form.
The results for the representative constituents of ditolylether disulfonic acid disodium salt, isomer mixture fall within the applicability domain described above and the applied estimation rules appear appropriate. Regarding the structures of the representative constituents of ditolylether disulfonic acid disodium salt, isomer mixture the fragment descriptors found by the program are complete.
Therefore the predicted values can be considered reliable yielding a useful result for further assessment.
Due to the fact that the dissociating property of ditolylether disulfonic acid disodium salt, isomer mixture is not incorporated by the estimation program, the lowest Koc value of 0.044 L/kg is taken into account for further assessment, as it considers the anionic character of ditolylether disulfonic acid disodium salt, isomer mixture. The highest estimated Koc of 1.346 L/kg suggest that ditolylether disulfonic acid disodium salt, isomer mixture has a negligible sorption potential to soil and sediment, and a rapid migration potential to groundwater. For all estimations ambient temperature was assumed.
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