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EC number: 918-984-3 | CAS number: -
- 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:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 2010-03-22 to 2010-04-23
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: OECD guideline, GLP study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- yes
- Remarks:
- Test item dissolved in water saturated in n-octanol and the determined values of the partition coefficient (expressed as a logaithm) fall within a range of 0.6 log units
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- yes
- Remarks:
- Test item dissolved in water saturated in n-octanol and the determined values of the partition coefficient (expressed as a logaithm) fall within a range of 0.6 log units
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- ca. -0.69
- Temp.:
- 20.2 °C
- pH:
- 5.9
- Details on results:
- The average n-octanol/water partition coefficient of the test item at 20.2°C and at pH5.9 is Pow= 2.38E-01
The standard deviation of all tabulated individual determination is : +/- 1.39E-01
The non-repeatability of the different partition coefficient is due to the presence of a third phase ( localized between the aqueous phase and the octanol phase). Indeed, the test item is surface-acting and so it was complicated to analyze it properly. - Conclusions:
- The value of partition coefficient found in this study is:
Pow = 2.38E-01 and Log(Pow) = -0.69 at 20.2°C in purified water ( pH 5.9). - Executive summary:
Objective of The Study
This study consisted in the determination of the partition coefficient of one batch of the test item referenced as batch N° 824800002.
Summary of Results
The n-octanol/water partition coefficient of the test item at 20.2°C and at pH 5.9 is
Pow = 2.38 E-01Log (Pow) = -0.69
Reference
Results
1 - Preliminary estimation of partition coefficient
Test temperature : 19.1°C
Date : 22.03.2009 Solvent used : octanol
Amount test item weighed (g) | 0.10 | ||||||||
Volume of water added (ml) | 0.1 | 0.5 | 1 | 2 | 10 | 20 | 50 | 70 | 100 |
Solubility (yes/no) | no | no | no | no | no | no | no | no | no |
This preliminary test indicates that the test item is poorly soluble in octanol.
Octanol | Water (pH 6.2) | |
Reference | Preliminary test | A9249 01* |
Solubility of the test item (g/L) | < 1g/L | 395 g/L* |
*Solubility in water determined under ANADIAG study N°A9249.
Coefficient partition estimated:
Pestimated= solubility in octanol / solubility in aqueous phase = 1 / 395 = 0.003
Log(Pestimated)= -2.6
Preparation of buffer: H2O milli Q
2 - Test conditions
Test temperature : 20.2 °C
Aqueous phase : water purified by ultrafiltration (Milli-Q plus, Millipore) , pH=6.2
Test item introduced weight: 1.50135 g
Volume of water saturated in octanol: 150 mL
Concentration of the test solution: 10g/L
Three different solvent ratios:
aqueous phase: octanol 2:1
aqueous phase: octanol 1:1
aqueous phase: octanol 1:2
3 - Test results
The test was run in duplicate at the test temperature of 20.2 °C with three different solvent ratios. The results obtained are summarised in the table below.
Defitraces reference: DEF 09-0681 N°Lot 824800002
Reference of extract | Volume of test sol. (mL) | Solvent | Partition Coefficient | Average Partition Coefficient | Partition Coefficient (Log) | pH aqueous phase |
V | Pow=Co/Cw | Pow=Co/Cw | Log(Pow) | |||
A9250 01 01 11 W | 25.0 | water | 0.414 | 0.410 | - 0.39 | 5.9 |
A9250 01 01 11 O | 12.5 | octanol | ||||
A9250 01 01 21 W | 25.0 | water | 0.405 | 5.9 | ||
A9250 01 01 21 O | 12.5 | octanol | ||||
A9250 01 02 11 W | 25.0 | water | 0.200 | 0.197 | - 0.71 | 5.9 |
A9250 01 02 11 O | 25.0 | octanol | ||||
A9250 01 02 21 W | 25.0 | water | 0.194 | 5.9 | ||
A9250 01 02 21 O | 25.0 | octanol | ||||
A9250 01 03 11 W | 12.5 | water | 0.117 | 0.108 | - 0.97 | 5.9 |
A9250 01 03 11 O | 25.0 | octanol | ||||
A9250 01 03 21 W | 12.5 | water | 0.098 | 5.9 | ||
A9250 01 03 21 O | 25.0 | octanol |
The average partition coefficient is (average of all tabulated individual determinations ± standard
deviation) :
Pow = 2.38E-01 ± 1.39 E-01
Log (Pow) = -0.69 ± 0.29
The non-repeatability of the different partition coefficient is due to the presence of a third phase (localized between the aqueous phase and the octanol phase). Indeed, the test item is surface-acting and so it was complicated to analyze it properly.
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.69
- at the temperature of:
- 20.2 °C
Additional information
Shake-flask method
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