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EC number: 500-240-0 | CAS number: 68958-77-0
- 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 19 March, 2004 to 22 March, 2004
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC 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:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 1.1 - ca. 6.2
- Temp.:
- 20.6 °C
- Remarks on result:
- other: The test substance is a mixture of components. For the major component, the log Pow is 3.5. For the minor components, the log Pow is between <1.1 and 5.1 except for one component for which log Pow value is > 6.2.
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 3.5
- Temp.:
- 20.6 °C
- Remarks on result:
- other: for constituents/peaks with 67.7% peak area
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 6.2
- Temp.:
- 20.6 °C
- Remarks on result:
- other: for a peak with 16.2% peak area
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 1.1 - ca. 5.1
- Temp.:
- 20.6 °C
- Remarks on result:
- other: for constituents/peaks with <5% peak area summing up to 12.11% peak area
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 1.1 - <= 4.6
- Temp.:
- 20.6 °C
- Remarks on result:
- other: for constituents/peaks with <1% peak area% summing up to around 4%
- Details on results:
- Using 75/25 (v/v) methanol/milli-Q water as the mobile phase, a LiChrospher 100 RP-18 column and a spectrophotometric detector set to read the absorbance at 210 nm, one large and nineteen small test substance peaks were observed in the chromatograms of the 48.7 mg/L test substance solution which were recorded for 40 min. The temperature of the column oven was 20.6 ± 0.3°C during the test. It was assumed that all peaks derive from the test substance. The to (the retention time of the unretarded component) was determined to be 1.073 min as a mean value of both measurements (i.e.1.073 and 1.072 min).
- Conclusions:
- The substance is a UVCB with several components. For the major component, the log Kow is 3.5. For minor components, the log Kow is between <1.1 and 5.1 except for one component (summing up to 16.2% peak area) for which the value is > 6.2.
- Executive summary:
A study was conducted to determine the partition coefficient (n-octanol/water) of the test substance according to OECD Guideline 117 and EU Method A.8, in compliance with GLP. The test substance is a mixture of compounds, so the HPLC method was chosen for the determination of the partition coefficient (n-octanol/water). Using 75/25 (v/v) methanol/milli-Q water as the mobile phase, a 125 mm LiChrospher 100 RP-18 column and a spectrophotometric detector set to read the absorbance at 210 nm, one large and nineteen small test substance peaks were observed in the HPLC chromatograms of the test substance. For the major component, the Kow is 3.3 x 103 (log Kow = 3.5). For the minor components, Kow values range from < 1.3 x 101 to 1.3 x 105 (log Kow between <1.1 and 5.1), except for one component (which sums up to 16.2 area %) for which the log Pow value > 6.2 (Baltussen, 2004). Therefore, as a conservative approach, the highest log Kow of 6.2 has been considered further for hazard/risk assessment.
Reference
Refer to attached document under 'Attached background material' for results of HPLC method.
Log Pow | Pow | Area % | |
impurity 1 (peak 1) | <1.1 | <1.3x101 | 0.58 |
impurity 2 (peak 2) | <1.1 | <1.3x10' | 0.04 |
impurity 3 (peak 3) | <1.1 | <1.3x101 | 2.26 |
impurity 4 (peak 4) | <1.1 | <1.3x101 | 0.4 |
impurity 5 (peak 5) | 1.2a | 1.8x101 | 0.23 |
impurity 6 (peak 6) | 2.3a | 2.1x102 | 2.78 |
impurity 7 (peak 7) | 2.7a | 4.6x102 | 0.72 |
impurity 8 (peak 8) | 2.8a | 6.8x102 | 0.03 |
impurity 9 (peak 9) | 3.0a | 9.0x102 | 0.04 |
impurity 10 (peak 10) | 3.0a | 1.1x103 | 0.08 |
impurity 11 (peak 11) | 3.3a | 1.9x103 | 0.54 |
major component (peak 12) | 3.5a | 3.3x103 | 67.7 |
impurity 12 (peak 13) | 3.7a | 5.5x103 | 1.91 |
impurity 13 (peak 14) | 3.9a | 7.5x103 | 0.25 |
impurity 14 (peak 15) | 4.3a | 2.0x104 | 0.16 |
impurity 15 (peak 16) | 4.4a | 2.5x104 | 0.5 |
impurity 16 (peak 17) | 4.6a | 3.7x104 | 0.4 |
impurity 17 (peak 18) | 4.8a | 6.1x104 | 2.43 |
impurity 18 (peak 19) | 5.1a | 1.3x105 | 2.73 |
impurity 19 (peak 20) | >6.2 | >1.6x106 | 16.2 |
a: Interpolated from the regression line: log k' = 0.353*log Pow - 0.731 (r=0.986, n = 6)
Therefore, the summary of the results is as follows:
Log Pow | Area % | |
Major component (peak 12) | 3.5 | 67.7 |
Impurity Peak 20 | 6.2 | 16.2 |
Impurities Peaks 3+6+13+18+19 | <1.1-5.1 | 12.11 |
Impurities Peaks 1+2+4+5+7+8+9+10+11+14+15+16+17 | <1.1-4.6 | 3.97 |
Description of key information
The octanol-water partition coefficient was determined according to OECD Guideline 117 and EU Method A.8 (HPLC method) (Baltussen, 2004).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.2
- at the temperature of:
- 20.6 °C
Additional information
The test substance is a UVCB and the log Kow of all constituents ranges between 1.1 and 6.2 i.e.,
- log Kow of the major constituents (present at 67.7% peak area) is 3.5;
- log Kow of the minor constituents (present at 16.2% peak area) is >6.2;
- log Kow of the minor constituents (present at >1 -<5% peak area, summing up to 12.11% peak area) ranges from <1.1 -5.1; and
- log Kow of the minor constituents (present at <1%, summing up to 3.97% peak area) ranges from <1.1- 4.6
Therefore, as a conservative approach, the highest log Kow of 6.2 corresponding to the minor constituent present at 16.2% peak area has been considered further for hazard/risk assessment.
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