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EC number: 245-327-1 | CAS number: 22919-56-8
- 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:
- Dec 2018 - Jan 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)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 0.088
- Temp.:
- 20 °C
- pH:
- ca. 7
- Conclusions:
- The mean partition coefficient (Log Pow) of Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) was determined to be 0.088 using the shake flask method.
- Executive summary:
Thepartition coefficient (Log Pow) of Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)was determined by the shake flask method, conducted in accordance with the procedure described in EU Regulation (EC) 440/2008, Annex Part A test A.8 and OECD Test Guideline 107.
The study was assigned a reliability score of 1 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).
Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) mean partition coefficient result (Log Pow): 0.088.
Reference
Flask No. |
1 |
2 |
3 |
4 |
5 |
6 |
Solvent Ratio (O:W) |
1:1 |
1:1 |
1:2 |
1:2 |
2:1 |
2:1 |
Volume of Octanol (ml) |
50 |
50 |
50 |
50 |
100 |
100 |
Volume of Water (ml) |
50 |
50 |
100 |
100 |
50 |
50 |
Amount of sample added (g) |
0.143 |
0.143 |
0.143 |
0.143 |
0.286 |
0.286 |
pH (aqueous phase) |
7.97 |
7.97 |
7.86 |
7.86 |
8.12 |
8.13 |
Mean Peak area (aqueous phase) |
24365.5 |
24204.0 |
14520.5
|
14428.0 |
39410.5 |
39486.0 |
Concentration (g/L) |
0.24736 |
0.24574 |
0.14888 |
0.14796 |
0.39784 |
0.39860 |
Dilution factor |
5 |
5 |
5 |
5 |
5 |
5 |
Peak area (aqueous phase) |
1.23679 |
1.22871 |
0.74442 |
0.73979 |
1.98922 |
1.99300 |
Mean Peak area (octanol phase) |
15019.5 |
15545.5 |
12467.0 |
12347.5 |
7790.5 |
16792.0 |
Concentration (g/L) |
0.15387 |
0.15914 |
0.12834 |
0.12715 |
0.08157 |
0.17160 |
Dilution factor |
10 |
10 |
10 |
10 |
20 |
10 |
Concentration (g/L) (octanol phase) |
1.53875 |
1.59136 |
1.28343 |
1.27148 |
1.63133 |
1.71604 |
Log P |
0.0949 |
0.1123 |
0.2366 |
0.2352 |
-0.0861 |
-0.0650 |
Mean partition coefficient result (Log Pow): 0.088
Comments
Run time 20 minutes. The octanol layer from Flask number 5 was inadvertently prepared with a dilution factor of 20, compared to a dilution factor of 10 with the other flasks. Due to the linear nature of the calibration this will not have any impact on the results.
Description of key information
The partition coefficient of Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) was determined using the Shake Flask Method. The test is conducted in accordance with the procedure described in EU Regulation (EC) 440/2008, Annex Part A test A.8 and OECD Test Guideline 107 and assigned a reliability score of 1 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).
The mean partition coefficient obtained for Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) was determined to be 0.088.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.088
- at the temperature of:
- 20 °C
Additional information
The mean partition coefficient (Log Pow) obtained for Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) was determined to be 0.088.
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