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EC number: 247-074-2 | CAS number: 25524-95-2
- 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:
- 18 March 2019 - 02 May 2019
- 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 - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.84
- Temp.:
- 22.6 °C
- pH:
- ca. 7
- Details on results:
- The determination of partition coefficient was performed using the shake-flask method. This was due to the expected partition coefficient obtained in the preliminary assessment.
As the test item contains no modes of dissociation, testing was performed at approximately neutral pH, with the test item in a non-ionized form.
In the water solubility test, the results overall indicated that the test item is easily prone to hydrolysis.
However, due to the minimal contact time of the test item to the water prior to dilution, the effect of potential hydrolysis was considered to be negligible. - Conclusions:
- The partition coefficient of the test item has been determined to be 68.8 at 22.6 ± 0.5 °C, log10 Pow 1.84.
Reference
Table 2
Flask |
Total Weight (mg)* |
Organic Phase |
Aqueous Phase |
% Recovery |
|||
Analyzed Concentration (mg/L) |
Weight (mg)† |
Analyzed Concentration (mg/L) |
Weight (mg)† |
pH |
|||
1 |
79.4 |
1.53 x 103 |
79.6 |
21.7 |
0.563 |
6.9 |
101 |
2 |
73.3 |
1.52 x 103 |
72.8 |
22.1 |
0.530 |
6.8 |
100 |
3 |
61.1 |
1.53 x 103 |
61.2 |
22.0 |
0.878 |
6.9 |
102 |
4 |
68.7 |
1.49 x 103 |
67.0 |
21.7 |
0.977 |
6.8 |
98.9 |
5 |
41.2 |
1.43 x 103 |
38.6 |
21.5 |
1.16 |
6.9 |
96.5 |
6 |
39.7 |
1.50 x 103 |
38.9 |
21.8 |
1.14 |
6.9 |
101 |
pH of n-octanol saturated water: 6.9 Temperature: 22.6 ± 0.5°C
The partition coefficient determined for each flask is shown in the following table:
* From analysis of the stock solution
† From analysis of the respective phase
Table 3
Flask |
Organic/Aqueous Volume Ratio |
Partition Coefficient |
Log10Pow |
Mean Partition Coefficient |
1 |
2:1 |
70.7 |
1.85 |
69.7 |
2 |
68.6 |
1.84 |
||
3 |
1:1 |
69.7 |
1.84 |
69.1 |
4 |
68.6 |
1.84 |
||
5 |
1:2 |
66.7 |
1.82 |
67.6 |
6 |
68.5 |
1.84 |
Mean Pow: 68.8 log10Pow: 1.84 Powstandard deviation: 1.35
Validation
Organic phase:The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of75to200mg/L(n = 7). The results were satisfactory with a correlation coefficient (r) of0.995being obtained.
Aqueous phase:The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of2.5to20mg/L(n = 7). The results were satisfactory with a correlation coefficient (r) of0.999being obtained.
Description of key information
The partition coefficient of the test item has been determined to be 68.8 at 22.6 ± 0.5°C, log10 Pow 1.84.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.84
- at the temperature of:
- 22.6 °C
Additional information
The determination of partition coefficient of Jasminlactone was carried out using the shake-flask method. The procedure was designed to be compatible with the EC Method A.8 and the OECD test guideline 107, and was conducted in compliance with GLP.
The partition coefficient of the test item has been determined to be 68.8 at 22.6 ± 0.5°C, log10 Pow 1.84.
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