Registration Dossier
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EC number: 221-178-8 | CAS number: 3025-30-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- February 8-14, 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
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:
- Ethyl (2E,4Z)-2,4-decadienoate
- EC Number:
- 221-178-8
- EC Name:
- Ethyl (2E,4Z)-2,4-decadienoate
- Cas Number:
- 3025-30-7
- Molecular formula:
- C12H20O2
- IUPAC Name:
- ethyl deca-2,4-dienoate
- Test material form:
- not specified
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: 4349403
- Expiration date of the lot/batch: April 27, 2013
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 4.1 - <= 4.7
- Temp.:
- 35 °C
- pH:
- 7
- Details on results:
- The test substance produced five peaks on the chromatogram. The peaks ranged from an average retention time of 9.39 minutes to 13.68 minutes. This gives corresponding log Pow values of 4.1-4.7. The log Pow was determined using the following equation: log Pow = a *log k + b, where a = 2.8321, and b = 2.5612.
Any other information on results incl. tables
| Substance | Mean Retention Time | k | log k | log Pow |
| Thiourea | 2.07 | -- | -- | -- |
| Benzyl Alcohol | 2.57 | 0.244 | -0.613 | 1.1 |
| Benzene | 3.85 | 0.859 | -0.066 | 2.1 |
| Toluene | 4.88 | 1.355 | 0.132 | 2.7 |
| 1,4-Dichlorbenzene | 6.11 | 1.954 | 0.291 | 3.4 |
| Cumene | 7.50 | 2.623 | 0.419 | 3.7 |
| 1,2,4 -Trichlorobenzene | 9.39 | 3.538 | 0.549 | 4.2 |
| Fluoranthene | 16.15 | 6.803 | 0.833 | 5.1 |
| Ethyl Decadienoate (Peak 1) | 9.39 | 3.5379 | 0.5487 | 4.1 |
| Ethyl Decadienoate (Peak 2) | 10.48 | 4.0645 | 0.6090 | 4.3 |
| Ethyl Decadienoate (Peak 3) | 12.25 | 4.9167 | 0.6917 | 4.5 |
| Ethyl Decadienoate (Peak 4) | 13.05 | 5.3053 | 0.7247 | 4.6 |
| Ethyl Decadienoate (Peak 5) | 13.68 | 5.6070 | 0.7487 | 4.7 |
Applicant's summary and conclusion
- Conclusions:
- The Log Pow is 4.1-4.7.
- Executive summary:
The partition coefficient of the test substance was determined in an OECD Guideline 117 test. The partition coefficent was determined using HPLC with 7 reference substances. The Log Pow determined for the test substance was 4.1 -4.7.
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