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EC number: 947-975-7 | 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 22/11/2017 to 30/4/2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 23 November 2004
- Deviations:
- no
- Principles of method if other than guideline:
- See attached method validation.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- tridecyl 2-hydroxybenzoate
- EC Number:
- 947-975-7
- Molecular formula:
- C20H32O3
- IUPAC Name:
- tridecyl 2-hydroxybenzoate
Constituent 1
- Specific details on test material used for the study:
- Test Item
Identification: Dermol TDSA
Appearance: Colourless to pale yellow clear liquid
Batch: P7202
Purity/Composition: UVCB
Test item storage: At room temperature
Stable under storage conditions until: 11 November 2021 (expiry date)
Additional information
Test Facility test item number: 209078/A
Purity/Composition correction factor: No correction factor required
Test item handling: No specific handling conditions required
Molecular structure: Not indicated
Molecular formula: C20H32O3
Molecular weight: 320
Test Item Characterization
The Sponsor provided to the Test Facility documentation of the identity, purity, composition, and stability for the test item(s). A Certificate of Analysis or equivalent document was provided to the Test Facility and is presented in Appendix 2.
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- Pow
- Partition coefficient:
- ca. 400
- Temp.:
- 35 °C
- pH:
- ca. 7
- Remarks on result:
- other:
- Remarks:
- Peak area 5 %
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 2.6
- Temp.:
- 35 °C
- pH:
- ca. 7
- Remarks on result:
- other:
- Remarks:
- Peak area 5 %
Any other information on results incl. tables
Results - HPLC method
pH 7
UPLC-UV chromatograms of the test item solution are shown inFigure 4andFigure 5. The corresponding blank is shown inFigure 6. In the chromatogram of the test solution, one major peak and several small test item peaks were observed.
Under the same analytical conditions, the retention time of 4,4’-DDT (log Pow= 6.5) was 10.9 minutes and the retention time ofbenzo[ghi]perylene(log Pow= 7.2) was 17.6 minutes. The results of the HPLC method are given inTable 8.
Figure 7 shows the calibration curve of the log k’ of the reference substances as function of log Pow. The equation of the regression line was: log k’ = 0.320´log Pow– 0.821 (r = 0.995, n = 14). Only one peak is calculated. Thelog Powof the remaining test item peaks were > 7.2 (Pow > 1.6 ´ 107).
Table 8
pH 7: Powof the Test Item
Substance |
Retention time (min) |
log Pow |
Pow |
Peak area |
||
tr,1 |
tr,2 |
mean |
||||
Formamide (t0) |
0.613 |
0.613 |
0.613 |
|
|
|
Benzylalcohol |
0.780 |
0.779 |
|
1.1 |
|
|
Nitrobenzene |
0.954 |
0.954 |
|
1.9 |
|
|
Toluene |
1.491 |
1.494 |
|
2.7 |
|
|
1,4-Dichlorobenzene |
1.914 |
1.919 |
|
3.4 |
|
|
Dibenzyl |
4.185 |
4.212 |
|
4.8 |
|
|
4,4’-DDT |
10.829 |
10.886 |
|
6.5 |
|
|
Benzo[ghi]perylene |
17.597 |
17.675 |
|
7.2 |
|
|
Test item – peak 1 |
1.244 |
1.249 |
1.247 |
2.6 |
4.0´102 |
5.0 |
The log Powof the remaining test items peaks was >7.2.
Applicant's summary and conclusion
- Conclusions:
- The octanol-water partition coefficient of the test substance was determined to be 2.6 Log Pow (Pow 400) at 35 ± 1 °C, under the conditions of the test.
- Executive summary:
In this guideline (OECD 117) study, [conducted with GLP certification], the octanol-water partition coefficient was found to be 2.6 Log Pow (Pow 400) at 35 ± 1 °C.
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