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EC number: 205-741-5 | CAS number: 149-45-1
- 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 22 Feb 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: EU A.24
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Landesamt für Umwelt, Wasserwirtschaft und Gewerbeaufsicht Kaiser-Friedrich-Straße 7, 55116 Mainz, Germany
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Disodium 4,5-dihydroxybenzene-1,3-disulphonate
- EC Number:
- 205-741-5
- EC Name:
- Disodium 4,5-dihydroxybenzene-1,3-disulphonate
- Cas Number:
- 149-45-1
- Molecular formula:
- C6H6O8S2.2Na
- IUPAC Name:
- disodium 4,5-dihydroxybenzene-1,3-disulphonate
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 25 °C
- pH:
- 6.5
Any other information on results incl. tables
Final Results
With the calculated capacity factors for the test item, each log Pow from the three determinations should be calculated. Finally, mean and standard deviation of the log Pow should be calculated.
This was not feasible here because k is negative. The retention time of the test item is lower than the retention time of thiourea, which was used for the determination of the dead time of the method. Therefore, the log Pow of the test item AF-378 is not calculable and stated as < 0.3.
Individual Results
Test Item AF-378: Measurement Data -
The retention times of the test item are presented in the following table:
Measurement |
RT |
min |
|
Measurement 1 |
1.344 |
Measurement 2 |
1.344 |
Measurement 3 |
1.335 |
Mean |
1.341 |
Standard deviation |
0.005 |
Calculated Values
The calculated values are presented in the following table:
Measurement |
k |
log k |
log POW |
Measurement 1 |
-0.0918 |
not calculable* |
not calculable* |
Measurement 2 |
-0.0918 |
not calculable* |
not calculable* |
Measurement 3 |
-0.0978 |
not calculable* |
not calculable* |
* Not calculable, because k is negative. The retention time of test item is lower than the retention time of thiourea, which was used for the determination of the dead time of the method.
For each reference item, the calculated capacity factors are presented in the following table.
Compound |
Retention Time Mean |
Retention T ime Stand.Dev. |
RetentionTime Relative Stand. Dev. |
k |
min |
min |
% |
|
|
Thiourea |
1.480 |
0.003 |
0.214 |
0.0000 |
2-Butanone |
1.967 |
0.003 |
0.144 |
0.3292 |
Benzylalcohol |
2.373 |
0.005 |
0.214 |
0.6038 |
Acetophenone |
2.970 |
0.010 |
0.347 |
1.0069 |
Nitrobenzene |
3.535 |
0.016 |
0.457 |
1.3891 |
Benzene |
5.031 |
0.029 |
0.581 |
2.4000 |
Toluene |
8.065 |
0.066 |
0.815 |
4.4502 |
Validity of Results
The test item showed one peak with a retention time 1.341 min with a very low standard deviation of 0.005 min. The determination was precise. The calculation of the log Pow of the test item peak is not possible, because the retention time of the test item peak was lower than the retention time of thiourea (1.480 min). The log Pow of the test item AF-378 is stated as < 0.3.
Discussion of Results
Variations in the retention times of reference items and test item are very small. Therefore, a stable configuration of the HPLC-column can be assumed. As the calculated log Pow of the test item peak lay below the lowest log Pow of the reference items (2-Butanone with log Pow 0.3), the log Pow of this peak is stated as < 0.3. No observations were made which might cause doubts concerning the validity of the study outcome.
Applicant's summary and conclusion
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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