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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
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EC number: 434-880-6 | 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
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_physical-and-chemical-properties.png)
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study was conducted in accordance with international guidelines and in accordance with GLP. All relevant validity criteria were met.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 0.58
- Temp.:
- 22 °C
- pH:
- >= 6.5 - <= 6.8
- Conclusions:
- The partition coefficient of the test item has been determined to be log Pow 0.58 at 22°C
- Executive summary:
Method
The determination was carried out using the HPLC Method, designed to be compatible with Method 107 of the OECD Guidelines for Testing of Chemicals, 12 May 1981.
Conclusion
The partition coefficient of the test item has been determined to be log Pow 0.58 at 22 °C
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The presented data were generated using the (Q)SAR KOWWIN as contibuting data to support read across for this endpoint.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Guideline:
- other: ECHA Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.6: QSARs and Grouping of Chemicals. May 2008.
- Principles of method if other than guideline:
- (KOWWIN Program (v1.67))
- GLP compliance:
- no
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.56
- Remarks on result:
- other:
- Remarks:
- (Q)SAR estimation
- Executive summary:
This prediction was performed to support the read across for the octanol-water partition coefficient endpoint. The prediction was made using the (Q)SAR KOWWIN. The estimated Log Pow is 0.56
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- Refer to Section 13.2 for the read-across justification.
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.58
- Temp.:
- 22 °C
- pH:
- >= 6.5 - <= 6.8
- Conclusions:
- Based on read-across assessment, the partition coefficient of the test item has been determined to be log Pow 0.58 at 22°C. The conclusion is considered valid for this substance based on a one-to-one read-across from an analogue substance.
Referenceopen allclose all
Results of partition coefficient
|
|
Pow=Co/Cw |
P=log Pow
|
||
|
|
|
Measured |
Average |
Total Average |
Measurement condition 1 |
a |
4.19 |
0.62 |
0.62 |
0.58 (sd 0.026) |
b |
4.07 |
0.61 |
|||
Measurement condition 2 |
a |
3.60 |
0.56 |
0.56 |
|
b |
3.66 |
0.56 |
|||
Measurement condition 3 |
a |
3.79 |
0.58 |
0.58 |
|
b |
3.77 |
0.58 |
Co : Concentration of test substance in 1 octanol layer (mg/l)
Cw : Concentration of the test substance in water layer (mg/l)
Measured results of pH for the water layers
|
Sample a |
Sample b |
Measurement condition 1 |
6.5 |
6.5 |
Measurement condition 2 |
6.5 |
6.5 |
Measurement condition 3 |
6.6 |
6.8 |
Test Conditions
Added amount of test substance 6.50mg
Measureemnt conditions
|
Measurement condition 1 |
Measurement condition 2 |
Measurement condition 3 |
Volume of 1-octanol saturated with water |
5 |
10 |
20 |
Volume of water saturated with 1-octanol |
30 |
25 |
15 |
Description of key information
log Pow 0.58 at 22 °C (Read Across)
log Pow 0.56 (KOWWIN Program (v1.67))
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.58
- at the temperature of:
- 22 °C
Additional information
Read across for log Pow of 0.58 measured using the flask method, designed to be compatible with Method 107 of the OECD Guidelines for Testing of Chemicals, 12 May 1981 and showing good correlation with an estimated value for the substance.
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.
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