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EC number: - | 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:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 17 to 30 November 2022
- 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
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- No further details in study report
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 3.58 - <= 6.11
- Temp.:
- 30.3 °C
- pH:
- 5
- Details on results:
- See any other information on results
- Conclusions:
- Using the HPLC method, a partition coefficient between 3.58 and 6.11 was determined for the test item. The partition coefficients determined for the peaks at the beginning and at the end of the test item elution and the peaks that contribute an area of 5% or more of the total peaks area are (see any other information on results) These values are the mean of three independent measurements.
- Executive summary:
Determination of the Partition Coefficient n-octanol/water (log POW) of RED HF2.
Introduction
A study was performed to assess the partition coefficient of the test item by the HPLC method. The method followed was designed to be compliant with the OECD Guideline for Testing of Chemicals No. 117, “Partition Coefficient (n-octanol/water): HPLC Method” (30 June 2022).
Methods
This study was performed using the HPLC method. Seven reference items with different retention times were used to produce the calibration curve. They were chosen in relation with the expected retention time of the test item. For each reference item, two determinations were performed. The capacity factor k was calculated from the retention time of formamide (dead time) and the retention time of the respective reference item. A calibration function (log k versus log POW, linear fit) was determined based on literature values of log POW for the reference items.
Results
Using the HPLC method, a partition coefficient between 3.58 and 6.11 was determined for the test item. The partition coefficients determined for the peaks at the beginning and at the end of the test item elution and the peaks that contribute an area of 5% or more of the total peaks area are:%Area
log POW
First peak
0.1%
3.58
Peak 1
7.5%
5.22
Peak 2
5.2%
5.68
Peak 3
25.2%
5.82
Peak 4
8.8%
5.85
Peak 5
7.2%
6.00
Last peak
32.2%
6.11
These values are the mean of three independent measurements.
Reference
1.1. Reference items
1.1.1. Retention times
The retention times of the reference items are presented in the table below:
Compound | tR 1 (min) | tR 2 (min) | ΔtR (min) | tR mean (min) | Δ tR / tR mean | Equilibrium? (<2%) |
methylbenzoate | 5.74 | 5.63 | 0.11 | 5.69 | 1.93% | YES |
ethylbenzoate | 6.95 | 6.84 | 0.11 | 6.90 | 1.59% | YES |
ethylbenzene | 10.02 | 9.90 | 0.12 | 9.96 | 1.20% | YES |
cumene | 12.48 | 12.37 | 0.11 | 12.43 | 0.88% | YES |
butylbenzene | 19.68 | 19.58 | 0.10 | 19.63 | 0.51% | YES |
triphenylamine | 35.68 | 35.63 | 0.05 | 35.66 | 0.14% | YES |
DDT | 47.45 | 47.38 | 0.07 | 47.42 | 0.15% | YES |
with tR: retention time;
ΔtR: absolute value of the retention times difference.
The retention times observed for the peak of formamide, used for the determination of the dead time, was 3.22 in the first injection of the mix and 3.15 in the second injection.
1.1. Test item
1.1.1. Retention times
A typical chromatogram of the test item is constituted of several peaks. The table below presents the retention times of the peaks at the beginning and at the end of the test item elution and the peaks that contribute an area of 5% or more of the total peaks :
| Relative area %Area | tR (min) | RSD | ||||||
#1 | #2 | #3 | Mean | #1 | #2 | #3 | Mean | ||
Dead time t0 | - | - | - | - | 3.17 | 3.12 | 3.12 | 3.14 | 0.9% |
First peak | 0.1% | 0.1% | 0.1% | 0.1% | 10.72 | 10.67 | 10.73 | 10.71 | 0.3% |
Peak 1 | 6.1% | 8.3% | 8.1% | 7.5% | 25.29 | 25.24 | 25.29 | 25.27 | 0.1% |
Peak 2 | 5.6% | 4.9% | 5.1% | 5.2% | 32.71 | 32.80 | 32.76 | 32.76 | 0.1% |
Peak 3 | 25.2% | 25.7% | 24.7% | 25.2% | 35.71 | 35.68 | 35.71 | 35.70 | 0.0% |
Peak 4 | 9.9% | 8.3% | 8.1% | 8.8% | 36.24 | 36.26 | 36.30 | 36.27 | 0.1% |
Peak 5 | 7.0% | 7.2% | 7.5% | 7.2% | 39.71 | 39.78 | 39.68 | 39.72 | 0.1% |
Last peak | 32.9% | 32.4% | 31.4% | 32.2% | 42.65 | 42.64 | 42.64 | 42.64 | 0.0% |
RSD: Relative Standard Deviation
Calculation of k, log k, and log POW
The calculated capacity factors, k, for the 3 injections of the test item, their logarithms, log k, and the calculated log POW for each peak are presented in the table below. log POW is calculated using the regression equation obtained from the reference items:
log POW = (log k + 0.6339) / 0.2837
| k | log k | log POW | ||||||
| #1 | #2 | #3 | #1 | #2 | #3 | #1 | #2 | #3 |
First peak | 2.38 | 2.42 | 2.44 | 0.38 | 0.38 | 0.39 | 3.57 | 3.57 | 3.61 |
Peak 1 | 6.98 | 7.09 | 7.11 | 0.84 | 0.85 | 0.85 | 5.20 | 5.23 | 5.23 |
Peak 2 | 9.32 | 9.51 | 9.50 | 0.97 | 0.98 | 0.98 | 5.65 | 5.69 | 5.69 |
Peak 3 | 10.26 | 10.44 | 10.45 | 1.01 | 1.02 | 1.02 | 5.79 | 5.83 | 5.83 |
Peak 4 | 10.43 | 10.62 | 10.63 | 1.02 | 1.03 | 1.03 | 5.83 | 5.86 | 5.86 |
Peak 5 | 11.53 | 11.75 | 11.72 | 1.06 | 1.07 | 1.07 | 5.97 | 6.01 | 6.01 |
Last peak | 12.45 | 12.67 | 12.67 | 1.10 | 1.10 | 1.10 | 6.11 | 6.11 | 6.11 |
The following table presents the relative area of each peak, their mean log POW and the associated standard deviation:
| %Area | log POW mean | Standard deviation |
First peak | 0.1% | 3.58 | 0.023 |
Peak 1 | 7.5% | 5.22 | 0.017 |
Peak 2 | 5.2% | 5.68 | 0.023 |
Peak 3 | 25.2% | 5.82 | 0.023 |
Peak 4 | 8.8% | 5.85 | 0.017 |
Peak 5 | 7.2% | 6.00 | 0.023 |
Last peak | 32.2% | 6.11 | 0.000 |
Description of key information
Using the HPLC method, a partition coefficient between 3.58 and 6.11 was determined for the test item.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.11
- at the temperature of:
- 30.3 °C
Additional information
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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