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EC number: 600-809-4 | CAS number: 1072-53-3
- 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:
- 2018.3.12 ~ 2018.04.06
- 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)
- GLP compliance:
- not specified
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Sample name: supplied as a name of ESA
Appearance: Powder
Chemical name: 1,3,2-Dioxathiolane, 2,2-dioxide
ESA-171210-17173
Purity :≥ 99.5 % - Analytical method:
- other: Gel Permeation Chromatography (GPC)
- Type:
- Pow
- Partition coefficient:
- 0.37
- Temp.:
- 23 °C
- pH:
- >= 1.4 - <= 1.7
- Type:
- log Pow
- Partition coefficient:
- -0.45
- Temp.:
- 23 °C
- pH:
- >= 1.4 - <= 1.7
- Details on results:
- Preliminary estimate
A preliminary assessment of the partition coefficient was done based on the approximate solubility of the test material in n-octanol and water.
Approximate solubility in n-octanol : < 100 g/L (carried out by visual assessment)
Solubility in water : > 150 g/L (carried out by visual assessment) Approximate Pow : Approximately < 0.67
Estimated Log10 Pow : Approximately < - 0.18
According to OECD test guideline 107, Pow values within the range of log Pow -2 to 5 can be estimated using Shake-flask method. Therefore the Shake-flask method was used to measure the Log10 Pow of the sample.
Definitive test
n-Octanol test solution was prepared by diluting test material (0.400 g) to 500 mL with water saturated n-octanol.
Test 1: octanol test solution (90 mL)and octanol saturated water (45 mL) were combined in a volumetric flask and shaken for 20 minutes.
Test 2: octanol test solution (112 mL)and octanol saturated water (28 mL) were combined in a volumetric flask and shaken for 20 minutes. Test 3: octanol test solution (120 mL)and octanol saturated water (15 mL) were combined in a volumetric flask and shaken for 20 minutes.
The concentration of the test material in the sample solutions was determined by Gel Permeation Chromatography (GPC). - Conclusions:
- The partition coefficient of the test material was determined to be 0.37 at 23 ºC, Log10 Pow - 0.45.
- Executive summary:
The partition coefficient of the test material was determined to be 0.37 at 23 ºC, Log10 Pow - 0.45.
Reference
Results
Table 1. Partition coefficient (n-octanol / water) of ESA
Sample name |
Partition coefficient (Pow) |
Log10Pow |
ESA |
0.37 |
- 0.45 |
Combined volume of organic and aqueous phase and analyzed concentrations
Sample number |
Volume of water saturatedn-octanol |
Volume of n-octanol saturated water |
Organic phase |
Aqueous phase |
|
Analyzed concentration (mg/L) |
Analyzed concentration (mg/L) |
pH |
|||
1 |
90 |
45 |
422.05 |
954.57 |
1.7 |
2 |
90 |
45 |
410.87 |
937.09 |
1.7 |
3 |
112 |
28 |
430.12 |
960.87 |
1.4 |
4 |
112 |
28 |
407.14 |
952.51 |
1.4 |
5 |
120 |
15 |
642.55 |
2 654.93 |
1.7 |
6 |
120 |
15 |
631.37 |
2 724.18 |
1.7 |
Partition coefficients for samples
Sample number |
n-octanol/ water volume ratio |
Partition coefficient |
Log10POW |
1 |
2:1 |
0.44 |
-0.35 |
2 |
2:1 |
0.44 |
-0.36 |
3 |
4:1 |
0.45 |
-0.35 |
4 |
4:1 |
0.43 |
-0.37 |
5 |
8:1 |
0.24 |
-0.62 |
6 |
8:1 |
0.23 |
-0.63 |
Average |
0.37 |
- 0.45 |
|
Standard deviation |
0.10 |
0.14 |
Overall POW: 0.37
Log10POW: - 0.45
Temperature : 23℃
Description of key information
The partition coefficient of the test material was determined to be 0.37 at 23 ºC, Log10 Pow -0.45.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.45
- at the temperature of:
- 23 °C
Additional information
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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