Registration Dossier
Registration Dossier
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EC number: 940-766-1 | CAS number: -
Partition coefficient
Administrative data
- 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
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- (1E,5E,9E)-cyclododeca-1,5,9-triene; (1Z,5Z)-cycloocta-1,5-diene; 4-ethenylcyclohex-1-ene
- EC Number:
- 940-766-1
- Molecular formula:
- unspecified
- IUPAC Name:
- (1E,5E,9E)-cyclododeca-1,5,9-triene; (1Z,5Z)-cycloocta-1,5-diene; 4-ethenylcyclohex-1-ene
- Test material form:
- liquid
Constituent 1
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.8
- Temp.:
- 23 °C
- pH:
- 6.1
- Remarks on result:
- other: Component 1 (2.9 area %)
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.9
- Temp.:
- 23 °C
- pH:
- 6.1
- Remarks on result:
- other: cis, cis-1,5 Cyclooctadien (71.6 area %)
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.4
- Temp.:
- 23 °C
- pH:
- 6.1
- Remarks on result:
- other: 4-Vinyl-1-cyclohexen (17.8 area %)
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 23 °C
- pH:
- 6.1
- Remarks on result:
- other: Component 2 (7. 7 area %)
Any other information on results incl. tables
Results
| Substance | tR (min)* | k' | log k' | log Pow* |
| Reference mixture: | ||||
| Formamide (dead time marker) | 1.4 | - | - | - |
| Ethyl benzoate | 4.1 | 1.97 | 0.294 | 2.6 |
| Toluene | 4.9 | 2.55 | 0.407 | 2.7 |
| Ethylbenzene | 6.4 | 3.59 | 0.555 | 3.2 |
| Cumene | 8.1 | 4.81 | 0.682 | 3.7 |
| n-Butylbenzene | 12.8 | 8.17 | 0.912 | 4.6 |
| Bibenzyl | 10.9 | 6.79 | 0.832 | 4.8 |
| DDT (Dichlorodiphenyl-trichloroethane) | 25.7 | 1.748 | 1.243 | 6.5 |
| Test item: | ||||
| Component 1 (2.9 area %)** | 4.9 | 2.55 | 0.406 | 2.8 |
| cis, cis-1,5 Cyclooctadien (71.6 area %)** | 8.2 | 4.89 | 0.686 | 3.9 |
| 4-Vinyl-1-cyclohexen (17.8 area %)** | 10.2 | 6.34 | 0.802 | 4.4 |
| Component 2 (7. 7 area %)** | 27.4 | 18.66 | 1.271 | > 6.5 *** |
• Mean value out of two determinations.
•• compared to total area of test item at 205 nm
••• The value was calculated via extrapolation. Since the retention time is higher than DDT, the value is given as > 6.5.
Remark: The results were calculated with not rounded values. The log Pow value(s) of the test item was/were calculated. log Pow values of the reference substances were taken from the guideline.
Equation
log Pow = 4.2286 log k' + 1.0399
Remark
HPLC analysis with RI detection with 25 μL injection volume showed no additional peaks.
Applicant's summary and conclusion
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