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EC number: 954-590-8 | CAS number: 2522560-40-1
- 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 2021-04-20 to 2021-04-21
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: EU Method A.24 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- 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:
- < 1
- Temp.:
- 25 °C
- Remarks on result:
- other: Test item outside of calibration.
- Conclusions:
- The log Pow of the test item was determined to be < 1.0.
- Executive summary:
An experimental study was performed to determine the water-octanol partition coefficient according to Regulation (EC) No 440/2008 Method A.24. and OECD Test Guidelines 117 using the HPLC method. Three series of the above reference solutions and the test item solution were measured with two parallel injections, each alternately. The retention times were determined. For the determination of the dead time Thiourea solution was injected three times with two parallel injections each time. The capacity factors, k were calculated from the retention times and the dead time. The log k data of the reference items were plotted against their log Pow values. The capacity factor of the test item was outside of the calibration range. Therefore it is concluded that the log Pow is < 1.0.
Reference
The three calibration series and three test item series were measured alternately.
The capacity factors (k) were calculated from the dead time and retention times of the reference items. The log k data of the reference items were plotted against their log Pow values. The equation of the curve fitted to the calibration points is as follows:
log Pow = 2.54 × log k + 1.87 (r2= 0.944)
Table 1. Measured and calculated data of the reference items | |||||||
Chemical name | log Pow OECD 117 | Retention time (min) | log k Calculated | log Pow Calculated | DlogPow | Accuracy | |
Thiourea | - | 2.25 | - | ||||
2.25 | |||||||
2.25 | |||||||
2.24 | |||||||
2.25 | |||||||
2.25 | |||||||
Mean | 2.25 | ||||||
CV% | 0.2 | ||||||
Acetanilide | 1.0 | 3.06 | -0.442 | 0.7 | 0.00 | 0.3 | |
3.06 | -0.442 | 0.7 | |||||
3.06 | -0.442 | 0.7 | |||||
3.06 | -0.442 | 0.7 | |||||
3.06 | -0.442 | 0.7 | |||||
3.06 | -0.442 | 0.7 | |||||
Mean | 3.06 | -0.442 | 0.7 | ||||
CV% | 0.0 | - | - | ||||
Benzonitrile | 1.6 | 4.39 | -0.021 | 1.8 | 0.02 | 0.2 | |
4.37 | -0.025 | 1.8 | |||||
4.39 | -0.021 | 1.8 | |||||
4.38 | -0.023 | 1.8 | |||||
4.40 | -0.019 | 1.8 | |||||
4.40 | -0.019 | 1.8 | |||||
Mean | 4.39 | -0.021 | 1.8 | ||||
CV% | 0.3 | - | - | ||||
Acetophenone | 1.7 | 4.32 | -0.036 | 1.8 | 0.02 | 0.1 | |
4.33 | -0.033 | 1.8 | |||||
4.29 | -0.042 | 1.8 | |||||
4.31 | -0.038 | 1.8 | |||||
4.32 | -0.036 | 1.8 | |||||
4.31 | -0.038 | 1.8 | |||||
Mean | 4.31 | -0.037 | 1.8 | ||||
CV% | 0.3 | - | - | ||||
Methyl benzoate | 2.1 | 5.38 | 0.144 | 2.2 | 0.03 | 0.1 | |
5.44 | 0.152 | 2.3 | |||||
5.43 | 0.151 | 2.3 | |||||
5.39 | 0.145 | 2.2 | |||||
5.39 | 0.145 | 2.2 | |||||
5.36 | 0.141 | 2.2 | |||||
Mean | 5.40 | 0.146 | 2.2 | ||||
CV% | 0.6 | - | - | ||||
Chemical name | log Pow OECD 117 | Retention time (min) | log k Calculated | log Pow Calculated | DlogPow | Accuracy |
Ethyl benzoate | 2.6 | 7.05 | 0.330 | 2.7 | 0.02 | 0.1 |
7.06 | 0.330 | 2.7 | ||||
7.07 | 0.331 | 2.7 | ||||
7.01 | 0.326 | 2.7 | ||||
6.99 | 0.324 | 2.7 | ||||
7.02 | 0.327 | 2.7 | ||||
Mean | 7.03 | 0.328 | 2.7 | |||
CV% | 0.4 | - | - | |||
Naphthalene | 3.6 | 10.43 | 0.561 | 3.3 | 0.04 | 0.3 |
10.44 | 0.562 | 3.3 | ||||
10.70 | 0.575 | 3.3 | ||||
10.65 | 0.573 | 3.3 | ||||
10.63 | 0.571 | 3.3 | ||||
10.63 | 0.571 | 3.3 | ||||
Mean | 10.58 | 0.569 | 3.3 | |||
CV% | 1.1 | - | - |
Table. Measured and calculated data of SIKA Hardener MD (SIKA Härter MD) | |||||||
Test Item name | Retention time (min) | log k | log Pow | Pow | Repeatability |
| |
Calculated |
| ||||||
SIKA Hardener MD (SIKA Härter MD) | 2.50 | -0.951 |
|
| - |
| |
2.50 | -0.951 |
|
| ||||
2.49 | -0.969 |
|
| ||||
2.49 | -0.969 |
|
| ||||
2.49 | -0.969 |
|
| ||||
2.49 | -0.969 |
|
| ||||
Mean | 2.49 | -0.963 | < 1.0 | - | - |
| |
| |||||||
| |||||||
In the course of this study the partition coefficient (Pow) of SIKA Hardener MD (SIKA Härter MD) was determined using high performance liquid chromatography. The determined log Pow: < 1.0
Description of key information
The log Pow of the test item was determined to be < 1.0.
Key value for chemical safety assessment
Additional information
An experimental study was performed to determine the water-octanol partition coefficient according to Regulation (EC) No 440/2008 Method A.24. and OECD Test Guidelines 117 using the HPLC method. Three series of the above reference solutions and the test item solution were measured with two parallel injections, each alternately. The retention times were determined. For the determination of the dead time Thiourea solution was injected three times with two parallel injections each time. The capacity factors, k were calculated from the retention times and the dead time. The log k data of the reference items were plotted against their log Pow values. The capacity factor of the test item was outside of the calibration range. Therefore it is concluded that the log Pow is < 1.0.
Remark: The substance consists of two imine groups which are known to be hydrolytically unstable. The chromatogram shows two additional peaks which where not analysed. The two peaks indicate hydrolysis of the test item.
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