Registration Dossier
Registration Dossier
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EC number: 944-982-7 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- November 16 to December 22, 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guidelineopen allclose all
- 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 - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- ethyl 2-cyclopentylidene-3-oxobutanoate
- EC Number:
- 812-640-5
- Cas Number:
- 95296-11-0
- Molecular formula:
- C11H16O3
- IUPAC Name:
- ethyl 2-cyclopentylidene-3-oxobutanoate
- Reference substance name:
- ethyl 2-(cyclopent-1-en-1-yl)-3-oxobutanoate
- Molecular formula:
- C11H16O3
- IUPAC Name:
- ethyl 2-(cyclopent-1-en-1-yl)-3-oxobutanoate
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- Aspect : colourless to pale yellow liquid
Lot No. : SC00018589
Purity :93.8% (sum of 3 peaks)
Expiration date : June 07, 2020
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.2
- Temp.:
- 35 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 2.9
- Temp.:
- 35 °C
- pH:
- 7
Applicant's summary and conclusion
- Conclusions:
- In the conditions of the test, the chromatograms of Ethyl Cyclopentylidene acetoacetate show two peaks at average retention times of 3.540 minutes (94.4% relative peak area), corresponding to a partition coefficient (log value) of 2.2 and 4.579 minutes (5.6% relative peak area), corresponding to a partition coefficient (log value) of 2.9.
Therefore:
Partition coefficients n-octanol/water of Ethyl Cyclopentylidene acetoacetate:
log Pow = 2.2 and 2.9 - Executive summary:
The Partition Coefficient n-octanol/water of Ethyl Cyclopentylidene acetoacetate was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117.
The result is:
Partition coefficients n-octanol/water of Ethyl Cyclopentylidene acetoacetate:
log Pow= 2.2 and 2.9
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