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EC number: 244-033-0 | CAS number: 20780-48-7
- 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:
- January 2007
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Remarks:
- and Shake Flask Method was used as preliminary method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.6
- Temp.:
- 25 °C
- pH:
- 5.7
- Details on results:
- During the preliminary test, the log Pow of the test substance was estimated to be above 5.6. Therefore, the HPLC method was chosen to conduct the main test. Six common standards, which have known log Pow values in the range of 3.4 to 6.5, were used as reference standards during the main test.
The test substance solution was injected three times and the combined reference solution was injected six times. The thiourea solution was injected twice. The log Pow of the main peak of the test substance was calculated using a regression curve (log k’ vs log Pow) and was found to be 5.6. The resultant log Pow was in the range of the estimated value found during the preliminary test.
The chromatography of the test item showed one main peak well defined and reproducible retention time. The HPLC method was therefore considered suitable for the purpose of the study.
In conclusion, using HPLC method, the n-octanol/water partition coefficient of the test substance is log Pow: 5.6 - Conclusions:
- Under the conditions of the test, the log Pow was determined to 5.6 at 20° (pH 5.7).
- Executive summary:
The partition coefficient of Tetrahydrolinalyl acetate was determined according to OECD 117 and under GLP using the HPLC method. Under the conditions of the test, the log Pow was determined to 5.6 at 20° (pH 5.7).
Reference
Results of test substance (Tetrahydrolinalyl Acetate) analyses
Number of analysis |
Retention time [min] |
K’ |
Log k’ |
Log Pow |
Mean log Pow |
Test item main peak |
|||||
1 |
6.09 |
4.23 |
0.62597 |
5.6 |
|
2 |
6.01 |
4.16 |
0.61886 |
5.6 |
|
3 |
6.02 |
4.17 |
0.61976 |
5.6 |
5.6 |
The tabulated values represent rounded results, which were obtained by calculation using the exact raw data.
Description of key information
The partition coefficient of the substance was determined according to OECD 117 and under GLP using the HPLC method. Under the conditions of the test, the log Pow was determined to 5.6 at 20° (pH 5.7).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.6
- at the temperature of:
- 20 °C
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.