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EC number: 264-935-8 | CAS number: 64519-44-4
- 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:
- 12-13 April 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- The study was conducted according to an internationally recognised method, and under GLP. The substance is considered to be adequately characterised. Therefore full validation applies.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 2008
- Deviations:
- no
- Principles of method if other than guideline:
- not applicable
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- GLP certificate (inspected on 15 to 16 November 2017 / signed on 15 May 2018)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- Type:
- log Pow
- Partition coefficient:
- 3.13
- Temp.:
- 22 °C
- pH:
- ca. 6.3
- Executive summary:
The partition coefficient of the test substance was measured, under GLP, according to the OECD 107 / EU method A8 guidelines using the flask method.
Three volume ratios of n-octanol : water (0.5 : 1; 0.25 : 1; 1 : 1) were tested in duplicate. Samples were collected from n-octanol and water phases and analysed using a fully validated GC-FID method to determine the concentration of test item in each phase. Then the logPow was calculated.
The difference between the six log Pow values was 0.048, corresponding to the range of ± 0.024 < 0.3 units . Therefore, the validity was given. The mass balances of the individual determinations showed 98.4 - 102.8 % recovery from
nominal amount with the mean value of 100.5 %.
The partition coefficient (log Kow) of the test substance has been determined to be 3.13 (at 22°C, and pH ca 6.3).
Reference
The pH values which were measured in the aqueous phases were presented in the report. They are between 6.03 and 6.53.
Table 4.7/1: Analytical determinations in n-octanol:
Step | Area Test Item [pA*s] | Area ISTD [pA*s] | Conc. | Volume | Amount test item |
# | [mg/L] | Octanol [mL] | in Octanol [mg] | ||
1a | 772.00 | 2120.91 | 2525.90 | 10 | 25.259 |
801.70 | 2212.10 | ||||
1b | 813.26 | 2204.10 | 2516.09 | 10 | 25.161 |
809.45 | 2284.52 | ||||
2a | 805.29 | 2205.91 | 2562.97 | 5 | 12.815 |
915.04 | 2451.90 | ||||
2b | 796.49 | 2246.12 | 2454.05 | 5 | 12.270 |
822.62 | 2357.67 | ||||
3a | 798.81 | 2256.21 | 2470.58 | 20 | 49.412 |
817.49 | 2304.57 | ||||
3b | 843.76 | 2361.41 | 2523.58 | 20 | 50.472 |
920.93 | 2500.03 |
Table 4.7/2: Analytical determinations in water:
Step | Area Test Item [pA*s] | Area ISTD [pA*s] | Conc. | Volume Water [mL] | Amount test item |
# | [mg/L] | in Water [mg] | |||
1a | 122.19 | 2593.94 | 1.86 | 20 | 0.037 |
134.43 | 2724.94 | ||||
1b | 121.99 | 2630.10 | 1.85 | 20 | 0.037 |
131.91 | 2659.74 | ||||
2a | 119.72 | 2422.17 | 1.88 | 20 | 0.038 |
122.22 | 2520.34 | ||||
2b | 123.22 | 2743.39 | 1.80 | 20 | 0.036 |
128.76 | 2703.96 | ||||
3a | 131.23 | 2536.26 | 1.93 | 20 | 0.039 |
125.61 | 2520.55 | ||||
3b | 123.66 | 2693.76 | 1.77 | 20 | 0.035 |
106.61 | 2382.93 |
The log Pow for each determination, the mean, standard deviation and relative standard deviation of the six determinations are presented in the following table.
Table 4.7/3: log Pow:
Step | log POW | Mean log POW | Range log POW | Standard | Relative Standard Deviation |
(Difference) | Deviation | ||||
1a | 3.134 | 3.133 | 3.107 – 3.154 (0.048) |
0.014 | 0.5 % |
1b | 3.134 | ||||
2a | 3.135 | ||||
2b | 3.135 | ||||
3a | 3.107 | ||||
3b | 3.154 |
The log Pow of the test item was calculated as (log Pow ± stand. dev.): 3.133 ± 0.014.
The six log POWs should lie in the range of ± 0.3 units. The difference between the values was 0.048, corresponding to the range of ± 0.024. Therefore, the validity was given.
Table 4.7/4 : Mass balance:
Step | Amount in n-Octanol [mg] | Amount in H2O [mg] | Total Amount [mg] | Nominal Amount [mg] | Difference [mg] | Recovery [%] |
1a | 25.259 | 0.037 | 25.296 | 25.0 | 0.296 | 101.2 |
1b | 25.161 | 0.037 | 25.198 | 25.0 | 0.198 | 100.8 |
2a | 12.815 | 0.038 | 12.852 | 12.5 | 0.352 | 102.8 |
2b | 12.270 | 0.036 | 12.306 | 12.5 | -0,194 | 98.4 |
3a | 49.412 | 0.039 | 49.450 | 50.0 | -0,55 | 98.9 |
3b | 50.472 | 0.035 | 50.507 | 50.0 | 0.507 | 101.0 |
The mass balances of the individual determinations showed 98.4 - 102.8 % recovery from nominal amount with the mean value of 100.5 %.
Description of key information
log Kow (exp) = 3.13 at 22°C (logKow < 4)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.13
- at the temperature of:
- 22 °C
Additional information
A fully reliable experimental study, conducted in accordance with conditions recommended in OECD/EU method (flask method) and under GLP, is available. It is considered as a key study. The result is retained as key data.
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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