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EC number: 276-763-0 | CAS number: 72676-55-2
- 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)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- June 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: estimation method (solubility ratio)
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- As the specified test methods (shake flask and HPLC) detailed in EC Method A8 failed, the log Pow has been determine based on the ratio of the n-octanol solubiliy / water solubility.
Feasibility work performed during HPLC method development indicated that the test item was unretained on the column under standard conditions. This indicates that the HPLC method is not suitable for assessment of partition coefficient for the test item.
Feasibility work performed for the shake flask methodology indicated that it was not possible to prepare test item solutions in pre-saturated solvent at the required concentrations to perform the test. This indicates that the shake flask method is not suitable for assessment of partition coefficient for the specific test item hence the Log P was estimated based on the water and n-octanol solubility data. - GLP compliance:
- yes
- Type of method:
- estimation method (solubility ratio)
- Remarks:
- Log P was estimated based on the water and n-octanol solubility ratio
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.46
- Temp.:
- 25 °C
- Remarks on result:
- other: Mean log P
- Details on results:
- Log P was determined for each test condition as the log10 (mean n-octanol solubility / water solubility), where the water solubility was 167 mg/L.
The results show that solubility in n-octanol is slightly higher following sonication compared to 4 hour- stirring and overnight stirring, which were comparable. Differences between loading rates (1% and 2%) and between replicates were negligible.Therefore different Log P values were obtained from the different test conditions but the difference in values is not thought to be significant. With consideration of the observed behaviour of the test item in solution suggesting variation in solubility with time, the mean n-octanol solubility has been used to estimate the Log P value to be reported. - Conclusions:
- The partition coefficient (log10 Pow) of the test item is estimated based on the ratio of n-octanol solubility and water solubility to be 1.46 at 25.0 +/- 1°C.
Reference
n-Octanol Solubility and Partition Coefficient Results
Test solution |
Absorbance |
Lambda max |
Test Item Concentration (mg/L)a |
Solubility in n-Octanol |
Mean solubility in n-Octanol |
Partition Coefficient |
|
|
n-Octanol Blank |
No peaks detected |
N/A |
N/A |
N/A |
N/A |
|
||
Overnight stirring 1% (1) |
0.885 |
340.0 |
18.09 |
4523 |
4541 |
1.43 |
|
|
Overnight stirring 1% (2) |
0.892 |
339.9 |
18.23 |
4558 |
|
|||
Overnight stirring 2% (1) |
0.908 |
339.8 |
18.56 |
4640 |
4650 |
1.44 |
|
|
Overnight stirring 2% (2) |
0.912 |
339.9 |
18.64 |
4660 |
|
|||
4hr stirring 1% (1) |
0.876 |
340.6 |
17.90 |
4475 |
4473 |
1.43 |
|
|
4hr stirring 1% (2) |
0.875 |
340.5 |
17.88 |
4470 |
|
|||
4hr stirring 2% (1) |
0.870 |
340.7 |
17.78 |
4445 |
4463 |
1.43 |
|
|
4hr stirring 2% (2) |
0.877 |
340.7 |
17.92 |
4480 |
|
|||
Sonication 1% (1) |
1.062 |
340.0 |
21.71 |
5428 |
5369 |
1.51 |
|
|
Sonication 1% (2) |
1.039 |
340.2 |
21.24 |
5310 |
|
|||
Sonication 2% (1) |
1.068 |
340.3 |
21.83 |
5458 |
5436 |
1.51 |
|
|
Sonication 2% (2) |
1.059 |
340.1 |
21.65 |
5413 |
|
|||
|
|
|
|
|
Mean Log P: |
1.46 |
|
a: Determined from calibration curve (linearity)
b: calcutaed as mg/l of test item x 100 / 0.04 (dilution in DMSO)
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.46
- at the temperature of:
- 25 °C
Additional information
Key Study:
In a study conducted according to GLP, the partition coefficient (log Pow) of 5,5'-Dithiodi-1,3,4-thiadiazole-2(3H)-thione estimated based on the ratio of n-octanol solubility and water solubility is 1.46 at 25 ± 1°C (Intertek Pharmaceutical Services Manchester, 2016).
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