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EC number: 701-463-8 | 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:
- 22 February 2018 - 26 February 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other:
- Remarks:
- Study conducted according to A8 method and OECD guideline 117, under GLP without deviation and with certificate of analysis included.
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- (13 April 2004)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- 2017-01-10
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 7.41 - < 8.02
- Temp.:
- 30 °C
- pH:
- ca. 6.5
- Remarks on result:
- other: These values are the mean of three independent measurements.
- Conclusions:
- Using the HPLC method, the following partition coefficients were determined for the test item:
Dimers (representing 79.2% of the test item): log Pow between 7.41 and 8.02.
These values are the mean of three independent measurements. - Executive summary:
Determination of the Partition Coefficient n-octanol/water (log Pow) of TERPENIC OLIGOMERS.
A study was performed to assess the partition coefficient of the test item by the HPL 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''.
This study was performed using the HPLC method. Eleven 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 acetone (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 Pow for the reference items.
The following partition coefficient range was determined for the dimers of the test item (representing 79.2% of the test item) between 7.41 and 8.02.
These values are the mean of three independent measurements.
Reference
Reference items:
Retention times and capacity factors
The retention times of the reference items are presented in the following table.
Compound | tR1 (min) |
tR2 (min) |
delta tR (min) | Mean (min) |
delta tR / Mean | Equilibrium ? |
benz[a]anthracene | 4.27 | 4.25 | 0.02 | 4.26 | 0.47% | YES |
heptachlor | 4.25 | 4.32 | 0.07 | 4.29 | 1.63% | YES |
PCB 50 | 4.21 | 4.15 | 0.06 | 4.18 | 1.44% | YES |
benzo[a]pyrene | 5.79 | 5.76 | 0.03 | 5.78 | 0.52% | YES |
dibenz[a,c]anthracene | 7.05 | 7.00 | 0.05 | 7.03 | 0.71% | YES |
PCB 103 | 5.93 | 5.83 | 0.10 | 5.88 | 1.70% | YES |
cypermethrin | n.d. | |||||
benzo[b]perylene | 9.15 | 9.09 | 0.06 | 9.12 | 0.66% | YES |
bifenthrin | 6.55 | 6.69 | 0.14 | 6.62 | 2.11% | NO |
PCB 169 | 12.42 | 12.25 | 0.17 | 12.34 | 1.38% | YES |
PCB 194 | 18.83 | 18.78 | 0.05 | 18.81 | 0.27% | YES |
PCB 198 | 16.88 | 16.79 | 0.09 | 16.84 | 0.53% | YES |
PCB 209 | 40.71 | 41.07 | 0.36 | 40.89 | 0.88% | YES |
n.d.: not determined
tR: retention time
delta tR: absolute value of the retention times difference
Two reference substances were discarded from the calibration curve:
- the first one is cypermethrin because it eluted in two peaks, whereas only one log Pow is given for all isomers
- the second one is bifenthrin because its difference in the retention time values between the two analyses was above the equilibrium criteria (2.11% for 2%). this behaviour seemed to be compound dependent since it was the only one reference compound with a variation above 2%.
Dead times (t0) for these injections (determined at 208 nm) are listed in the following table:
|
The equilibrium state of the system is declared valid since the difference of the reference items retention times (delta tR / Mean) did not exceed 2%, except for bifenthrin.
Log Pow/log k
The following table presents for each reference item their log Pow, the calculated retention factor for the two injections (k1 and k2), the mean of k1 and k2 (k mean), and log (k mean):
|
The logarithms of the mean capacity factors, log k, were plotted as a function of log Pow. The linear regression obtained with the reference items is presented in the following graph (illustration) with the representation of the confidence interval (in orange) calculated with a 98% confidence level.
The determination coefficient R² observed is 0.9382 and the correlation coefficient R is 0.9686. According to the guideline, a typical correlation coefficient for the relationship between log k and log Pow for a set of test substances is around 0.9. therefore, the obtained coefficients were quite satisfactory.
The equation of the line issued from the linear regression was used for the test item log Pow calculation.
Test item:
Retention times and capacity factors:
The retention times obtained are presented in the following table:
|
Calculation of k, log k and log Pow
The calculated values for the test item are presented in the following table. log Pow is calculated using the regression equation obtained from the reference items: log Pow = (log k +2.0476) / 0.4257
|
Description of key information
Using the HPLC method, the following partition coefficients were determined for the test item:
Dimers (representing 79.2% of the test item): log Pow between 7.41 and 8.02.
These values are the mean of three independent measurements.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 8
- at the temperature of:
- 25 °C
Additional information
The partition coefficient of the test substance was measured under GLP according to Guideline OECD 117/EU A8, HPLC method. The system was calibrated with 13 reference substances, and the result for the sample was interpolated from the linear regression.
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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