Registration Dossier
Registration Dossier
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EC number: 243-497-1 | CAS number: 20073-13-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental starting date: 29 March 2021
Experimental completion date: 14 May 2021 - 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:
- 2021
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Methyl [1α,2β(Z)]-(±)-3-oxo-2-(pent-2-enyl)cyclopentaneacetate
- EC Number:
- 243-497-1
- EC Name:
- Methyl [1α,2β(Z)]-(±)-3-oxo-2-(pent-2-enyl)cyclopentaneacetate
- Cas Number:
- 20073-13-6
- Molecular formula:
- C13H20O3
- IUPAC Name:
- methyl 2-[(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]acetate
Constituent 1
- Specific details on test material used for the study:
- Identification: methyljasmonate
CAS No: 1211-29-6
Appearance/Physical state: clear, colourless liquid
Lot: 0900175
Purity: 99.03 %
Expiry / Retest date: 25 March 2023
Storage conditions: approximately 4 °C, in the dark
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.66
- Temp.:
- 30 °C
- pH:
- 6.7
- Details on results:
- Preliminary Estimate
The log10 Pow was calculated to be 2.76
The result from the preliminary test indicated that the HPLC method was suitable for determination of partition coefficient for this test item.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test item has been determined to be 460, log10 Pow 2.66.
- Executive summary:
Partition Coefficient (n-Octanol/Water). 460, log10 Pow 2.66, using the HPLC method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
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