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EC number: 612-028-6 | CAS number: 607724-47-0
- 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:
- 2017
- 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 - HPLC Method)
- Version / remarks:
- The study is conducted in accordance with the following guidelines:
• OECD Guidelines for the Testing of Chemicals, Method No. 117, adopted 13. April 2004: “Partition Coefficient (n-octanol/water), High Performance Liquid Chromatog-raphy (HPLC) Method“
• Council Regulation (EC) No 440/2008 of 30. May 2008, published 31. May 2008, Method A.8 “Partition Coefficient“
• Commission Regulation (EU) 2016/266 of adopted 7 December 2015 amending Regu-lation EC No. 440/2008, Method A.24 “Partition Coefficient (N-OCTANOL/WATER), HIGH PERFORMANCELIQUID CHROMATOGRAPHY (HPLC) METHOD - 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:
- < 0.3
- Temp.:
- 20 °C
- pH:
- ca. 5.5
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 3.29
- Temp.:
- 20 °C
- pH:
- ca. 5.5
- Details on results:
- The correlation log k/ log POW was used for the calculation of the log POW of the compo-nents of test item Blendazol Red Blendwell. Due to the fact that the retention time of peak 1 lay below the retention time of thiourea (log POW is not calculable) the log POW of this peaks is stated as < 0.3 (log POW of reference item with lowest retention time 2-Butanone is 0.3). The log POW of peak 2, 3 and 4 lay in the range of the reference items.
The log POW of Blendazol Red Blendwell is stated as < 0.3 – 3.29, determined at pH 5.5 therefore. - Conclusions:
The test item chromatogram showed one large and three small peaks.
Although area is not necessarily correlated to absolute concentration if a UV detector is used, it is assumed that the test item consists mainly of peak 1 and of peak 4. As peaks 2 and 3 showed a relative area < 5 %, they were considered as minor peaks.
The correlation log k / log POW was used for the calculation of the log POW of the compo-nents of test item Blendazol Red Blendwell. Due to the fact that the retention time of peak 1 lay below the retention time of thiourea (log POW is not calculable) the log POW of this peak is stated as < 0.3 (log POW of reference item with lowest retention time 2-Butanone is 0.3). The log POW of peak 2, 3 and 4 lay in the range of the reference items.
The log POW of Blendazol Red Blendwell is stated as < 0.3 – 3.29 (mean), determined at pH 5.5 therefore.- Executive summary:
The partition coefficient was determined using the HPLC method according to the EU A.8 test guideline , The partition coefficient was determined in triplicate, at 20˚C and pH 5.5 obtaining a value (log Pow)
as < 0.3– 3.29 therefore
Reference
1.1.1 Calculated Values
The calculated values are presented in the following table:
Table8.2‑c Capacity Factor, log Capacity Factor, log POWof Test Item Peaks
Peak |
Measurement No. |
k |
log k |
log POW |
1 |
1 |
-0.1649 |
n.c.* |
n.c.* |
2 |
-0.1648 |
n.c.* |
n.c.* |
|
3 |
-0.1731 |
n.c.* |
n.c.* |
|
Mean |
|
|
n.c.* |
|
Standard Deviation |
|
|
n.c.* |
|
2 |
1 |
0.8546 |
-0.0683 |
1.544 |
2 |
0.8486 |
-0.0713 |
1.537 |
|
3 |
0.8437 |
-0.0738 |
1.531 |
|
Mean |
|
|
1.537 |
|
Standard Deviation |
|
|
0.007 |
|
3 |
1 |
2.6044 |
0.4157 |
2.723 |
2 |
2.6002 |
0.4150 |
2.721 |
|
3 |
2.5851 |
0.4125 |
2.715 |
|
Mean |
|
|
2.719 |
|
Standard Deviation |
|
|
0.004 |
|
4 |
1 |
4.4788 |
0.6512 |
3.296 |
2 |
4.4569 |
0.6490 |
3.291 |
|
3 |
4.4281 |
0.6462 |
3.284 |
|
Mean |
|
|
3.290 |
|
Standard Deviation |
|
|
0.006 |
*Not calculable, because k is negative. The retention time of peak 1 is lower than the retention time of thiourea, which was used for the determination of the dead time of the method.
log POWwas calculated from the capacity factor as follows:
log POW= (log k + 0.7024) / 0.4107
Description of key information
Summary -Results
Peak |
Area |
Relative Area [%] |
Retention Time [min] |
log POW |
1 |
5.6362 |
88.30 |
1.226 |
n.c.* |
2 |
0.1923 |
3.01 |
2.722 |
1.537 ± 0.007 |
3 |
0.0468 |
0.73 |
5.295 |
2.719 ± 0.004 |
4 |
0.5081 |
7.96 |
8.030 |
3.290 ± 0.006 |
[1]mAU = milli absorbance units
Because the test item is ionisable, this study was conducted at pH 5.5 by usage of mobile phase, adjusted to pH 5.5.
Blendazol Red Blendwell is a salt and is charged 3 fold permanently. At pH range 4.5 – 6.5 Blendazol Red Blendwell is estimated to be charged 3fold mainly (≥ 90%). Therefore the determination was performed using mobile phase, adjusted to pH 5.5 to ensure a defined pH value.
The correlation log k/log POWis good: the coefficient of determination r2was calculated with 0.956. This value was considered as sufficiently high to use the calibration function for the determination of the log POW of the test itemBlendazol Red Blendwell.
The test item chromatogram showed one large and three small peaks.
Although area is not necessarily correlated to absolute concentration if a UV detector is used, it is assumed that the test item consists mainly of peak 1 and of peak 4. As peaks 2 and 3 showed a relative area < 5 %, they were considered as minor peaks.
Using the correlation log k / log POW, the log POWof three of four components of test itemBlendazol Red Blendwell was calculated:the log POWof peak 1 was not calculable, because its retention time lay below the retention time of thiourea. The reason for this lower retention time may be, that a charged molecule is repelled by unmodified silanole groups of the HPLC column material and elute for the dead time therefore.The log POWof this peak is stated as < 0.3 (log POWof reference item with lowest retention time 2-Butanone is 0.3)
As peaks 2 and 3 showed a relative area < 5 %, they were considered as minor peaks.
The log POWof Blendazol Red Blendwellis stated as < 0.3 and 3.29 therefore
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.3
- at the temperature of:
- 25 °C
Additional information
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