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EC number: 246-073-4 | CAS number: 24199-46-0
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 31.5. - 22.11.2007
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: According to OECD guideline under GLP
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 007
- Report date:
- 2007
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Principles of method if other than guideline:
- Not relevant
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 6-methyloct-5-en-2-one
- EC Number:
- 246-073-4
- EC Name:
- 6-methyloct-5-en-2-one
- Cas Number:
- 24199-46-0
- Molecular formula:
- C9H16O
- IUPAC Name:
- 6-methyloct-5-en-2-one
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 3.3
- Temp.:
- 20 °C
- pH:
- 7
Any other information on results incl. tables
No other information
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of Ethylheptenone Technical was determined to be
log Pow = >3.3 using the flask shaking method. - Executive summary:
The determination of the partition coefficient log Pow of Ethylheptenone Technical was performed using the flask shaking method as described in OECD guideline no. 107 and EEC Directive 92/69, Section A.8.
Due to the results of the preliminary test, the log Pow of Ethylheptenone Technical was estimated to be about 3.4. Therefore, the flask shaking method was chosen to conduct the main test.During the main study, three tests were carried out, each in duplicate, with volume ratios of both solvents of 1 :1, 2:1 and 1 :2. After equilibration the concentration of the test item was determined in every phase by GC.
The log Pow was calculated for each of the six vessels. In order to check the analytical work, the mass balance for each vessel was calculated, too, and the recovery of the test item was found to be in the range of 97% to 100%.
The correlation coefficient r2 was 0.9989 (optimum 1.0000). This reflects the suitability of the GC-system within the calibration range of 0.6912 mg/L to 103.68 mg/L of the test item.
In conclusion, the partition coefficient of Ethylheptenone Technical was determined to be log Pow = >3.3 using the flask shaking method.
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