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EC number: 228-667-5 | CAS number: 6320-03-2
- 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:
- From February 8th to February 12th, 2016.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 2.91
- Temp.:
- 20 °C
- pH:
- 4
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.96
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- -1.01
- Temp.:
- 20 °C
- pH:
- 10
- Conclusions:
- The partition coefficient for the test substance at 20.0ºC is: logPow = 2.91 ± 0.13 at pH 4.0, logPow = 1.96 ± 0.02 at pH 7.0, and logPow = -1.01 ± 0.04 at pH 10.0.
- Executive summary:
The determination of partition coefficient 1-octanol/water of the test substance at three pH values was carried out according to OECD TG 107 and EU A.8, shake flask method (GLP study). Taking into account the solubility of the test substance in water and its solubility in 1-octanol, the partition coefficient was calculated. The partition coefficients for o-chlobenzenethiol at 20.0ºC and three pH values are: logPow = 2.91 ± 0.13 at pH 4.0, logPow = 1.96 ± 0.02 at pH 7.0, and logPow = -1.01 ± 0.04 at pH 10.0.
Reference
Table 4. Calculated values of logarithm to base 10 of partition coefficient 1-octanol/water at pH 4.
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
Volume 1-octanol phase/ volume of water phase |
1:1 |
1:2 |
2:1 |
|||
Pow= C1-octanol/Cwater |
741.08 |
806.75 |
610.46 |
613.00 |
1038.86 |
1187.00
|
log Pow= log(C1-octanol/Cwater) |
2.87 |
2.91 |
2.79 |
2.79 |
3.02 |
3.07 |
Average log Pow + standard deviation |
2.89±0.04 |
2.79±0.00 |
3.05±0.04 |
|||
Average log Pow + standard deviation |
2.91±0.13 |
Table 5. Calculated values of logarithm to base 10 of partition coefficient 1-octanol/water at pH 7.
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
Volume 1-octanol phase/volume of water phase |
1:1 |
2:1 |
1:2 |
|||
Pow= C1-octanol/Cwater |
88.68 |
87.26 |
95.29 |
94.09 |
85.20 |
86.64 |
log Pow= log(C1-octanol/Cwater) |
1.95 |
1.94 |
1.98 |
1.97 |
1.93 |
1.94 |
Average log Pow + standard deviation |
1.95±0.01 |
1.98±0.01 |
1.94±0.01 |
|||
Average log Pow + standard deviation |
1.96±0.02 |
Table 6. Calculated values of logarithm to base 10 of partition coefficient 1-octanol/water at pH 10.
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
Volume 1-octanol phase/volume of water phase |
1:1 |
2:1 |
1:2 |
|||
Pow= C1-octanol/Cwater |
0.098 |
0.096 |
0.089 |
0.090 |
0.110 |
0.108 |
log Pow= log(C1-octanol/Cwater) |
-1.01 |
-1.02 |
-1.05 |
-1.05 |
-0.96 |
-0.97 |
Average log Pow + standard deviation |
-1.02±0.01 |
-1.05±0.00 |
-0.97±0.01 |
|||
Average log Pow + standard deviation |
-1.01±0.04 |
Description of key information
Key study. Method according to OECD 107 / EU A.8 (shake flask method), GLP study. The partition coefficients for o-chlobenzenethiol at 20.0ºC and three pH values are: logPow = 2.91 ± 0.13 at pH 4.0, logPow = 1.96 ± 0.02 at pH 7.0, and logPow = -1.01 ± 0.04 at pH 10.0.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.96
- at the temperature of:
- 20 °C
Additional information
The determination of partition coefficient 1-octanol/water of the test substance at three pH values was carried out according to OECD TG 107 and EU A.8, shake flask method (GLP study). Taking into account the solubility of the test substance in water and its solubility in 1-octanol, the partition coefficient was calculated. The partition coefficients for o-chlobenzenethiol at 20.0ºC and three pH values are: logPow = 2.91 ± 0.13 at pH 4.0, logPow = 1.96 ± 0.02 at pH 7.0, and logPow = -1.01 ± 0.04 at pH 10.0.
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