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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
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
QSAR determinations of the logarithmic octanol-water partition coefficient for ditolylether disulfonic acid disodium salt, isomer mixture were performed using the model KOWWIN included in the Estimation Program Interface (EPI) Suite v4.1.
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 four representative constituents of ditolylether disulfonic acid disodium salt, isomer mixture. As, based upon its pKa values, ditolylether disulfonic acid disodium salt, isomer mixture exists predominantly in its dissociated form under environmental relevant pHs, calculations were performed for the dissociated and the non-dissociated form. The log Kow of the dissociated form of ditolylether disulfonic acid disodium salt, isomer mixture was estimated to be in a range of -4.12 to -1.54. Calculations for the non-dissociated of form ditolylether disulfonic acid disodium salt, isomer mixture yield a log Kow range of -0.75 to 1.04.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.54
Additional 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 four representative constituents of ditolylether disulfonic acid disodium salt, isomer mixture.
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
As, based upon its pKa values, ditolylether disulfonic acid disodium salt, isomer mixture exists predominantly in its dissociated form under environmental relevant pHs, the log Kow was estimated for the dissociated and non-dissociated form of the representative constituents of ditolylether disulfonic acid disodium salt, isomer mixture.
For the dissociated form the log Kow was estimated to be in a range of -4.12 to -1.54.
In general, the program considers salts of the representative constituents of ditolylether disulfonic acid disodium salt, isomer mixture as "ion pair" compounds and gives a corresponding estimate. This means, the estimate for the salts of the constituents of ditolylether disulfonic acid disodium salt, isomer mixture is an estimate for the dissociated corresponding acid.
In order to estimate the neutral form of the representative constituents of ditolylether disulfonic acid disodium salt, isomer mixture, the corresponding acid was chosen for calculation, as estimation of a salt is not considered by the program.
For the non-dissociated form the log Kow was estimated to be in a range of -0.75 to 1.04.
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.
Therefore the predicted values can be considered reliable yielding useful results for further assessment.
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