Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 806-801-9 | CAS number: 1539267-56-5
- 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:
- 09 August 2019
- 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)
- Version / remarks:
- 13 April 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: EU Method A.24 (Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method)
- Version / remarks:
- 01 March 2016
- 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 correction for purity of the test material was applied.
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.69
- Remarks on result:
- other: Temperature and pH not reported.
- Details on results:
- - Result of the main test
The three calibration series (reference solutions) and three test material series were measured using the standard conditions. The partition coefficient Pow was determined based on a calibration curve using 6 reference substances.
The capacity factors “k” were calculated from the dead time and retention times of the reference substances. The log Pow data of the reference substances were plotted against their log k values.
The equation of the curve fitted to the calibration points is as follows:
log Pow = 3.1714 × log k + 1.6036 (R² = 0.9926)
The calibration curve met the acceptance criteria between log Pow 2.1 and 5.7. - Conclusions:
- The capacity factor k and log Pow for the test material were calculated based on the calibration data obtained with the reference substances. The estimated log Pow of the detected peak of the test material, based on the chromatograms, is 3.69 ± 0.001 with 95 % confidence interval.
- Executive summary:
The octanol-water partition coefficient of the test material was determined in a study which was conducted in accordance with the standardised guidelines OECD 117 and EU Method A.24, under GLP conditions, following the HPLC method.
Under the conditions of the study, the log Pow of the test material was estimated to be 3.69 ± 0.001 with 95 % confidence interval.
Reference
Measured and Calculated Data of the Reference Substances
Chemical Name |
LogPow |
Retention Time (min) |
Log k |
Repeatability ¿ log Pow Log Unit |
Reproducibility Log Unit |
Log Pow |
OECD 117 |
Calculated |
Calculated |
||||
Thiourea |
|
2.29 |
For determination of dead time |
|||
2.29 |
||||||
2.29 |
||||||
2.29 |
||||||
2.28 |
||||||
2.29 |
||||||
Mean |
2.29 |
|||||
RSD% |
0.18 |
|||||
Methyl benzoate |
2.1 |
5.68 |
0.171 |
0.008 |
0.05 |
2.1 |
5.68 |
0.171 |
2.1 |
||||
5.68 |
0.171 |
2.1 |
||||
5.68 |
0.171 |
2.1 |
||||
5.67 |
0.170 |
2.1 |
||||
5.69 |
0.172 |
2.1 |
||||
Mean |
5.68 |
0.171 |
2.1 |
|||
RSD% |
0.11 |
- |
0.12 |
|||
Ethyl benzoate |
2.6 |
7.52 |
0.359 |
0.005 |
0.14 |
2.7 |
7.52 |
0.359 |
2.7 |
||||
7.52 |
0.359 |
2.7 |
||||
7.52 |
0.359 |
2.7 |
||||
7.51 |
0.358 |
2.7 |
||||
7.53 |
0.360 |
2.7 |
||||
Mean |
7.52 |
0.359 |
2.7 |
|||
RSD% |
0.08 |
- |
0.06 |
|||
Benzophenone |
3.2 |
8.68 |
0.446 |
0.004 |
0.18 |
3.0 |
8.68 |
0.446 |
3.0 |
||||
8.68 |
0.446 |
3.0 |
||||
8.69 |
0.447 |
3.0 |
||||
8.68 |
0.446 |
3.0 |
||||
8.70 |
0.447 |
3.0 |
||||
Mean |
8.68 |
0.446 |
3.0 |
|||
RSD% |
0.10 |
- |
0.06 |
|||
Naphthalene |
3.6 |
11.52 |
0.606 |
0.004 |
0.08 |
3.5 |
11.51 |
0.605 |
3.5 |
||||
11.52 |
0.606 |
3.5 |
||||
11.52 |
0.606 |
3.5 |
||||
11.52 |
0.606 |
3.5 |
||||
11.54 |
0.607 |
3.5 |
||||
Mean |
11.52 |
0.606 |
3.5 |
|||
RSD% |
0.09 |
- |
0.04 |
|||
Phenanthrene |
4.5 |
21.80 |
0.931 |
0.001 |
0.06 |
4.6 |
21.80 |
0.931 |
4.6 |
||||
21.80 |
0.931 |
4.6 |
||||
21.81 |
0.931 |
4.6 |
||||
21.81 |
0.931 |
4.6 |
||||
21.82 |
0.931 |
4.6 |
||||
Mean |
21.81 |
0.931 |
4.6 |
|||
RSD% |
0.04 |
- |
0.01 |
|||
Triphenylamine |
5.7 |
47.43 |
1.295 |
0.002 |
0.01 |
5.7 |
47.43 |
1.295 |
5.7 |
||||
47.45 |
1.295 |
5.7 |
||||
47.46 |
1.295 |
5.7 |
||||
47.48 |
1.295 |
5.7 |
||||
47.50 |
1.295 |
5.7 |
||||
Mean |
47.46 |
1.295 |
5.7 |
|||
RSD% |
0.06 |
- |
0.01 |
Measured and Calculated Data of the Test Material
Chemical Name |
Retention Time (min) |
Log k |
Log Pow |
Repeatability ¿ log Pow Log Unit |
Calculated Data |
||||
Test material |
12.71 |
0.658 |
3.69 |
0.003 |
12.71 |
0.658 |
3.69 |
||
12.72 |
0.659 |
3.69 |
||
12.73 |
0.659 |
3.69 |
||
12.72 |
0.659 |
3.69 |
||
12.72 |
0.659 |
3.69 |
||
Mean |
12.72 |
0.659 |
3.69 |
|
RSD% |
0.06 |
- |
0.03 |
|
Conf. (95 %) |
0.0079 |
- |
± 0.001 |
Description of key information
The octanol-water partition coefficient of the test material was determined in a study which was conducted in accordance with the standardised guidelines OECD 117 and EU Method A.24, under GLP conditions, following the HPLC method.
The capacity factor k and log Pow for the test material were calculated based on the calibration data obtained with the reference substances. The estimated log Pow of the detected peak of the test material, based on the chromatograms, is 3.69 ± 0.001 with 95 % confidence interval.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.69
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.