Registration Dossier
Registration Dossier
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EC number: 285-377-1 | CAS number: 85085-48-9 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Melaleuca alternifolia, Myrtaceae.
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:
- 2 007
- Report date:
- 2007
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Melaleuca alternifolia, ext.
- EC Number:
- 285-377-1
- EC Name:
- Melaleuca alternifolia, ext.
- Cas Number:
- 85085-48-9
- Molecular formula:
- Not applicable (a generic molecular formula cannot be provided for this specific UVCB substance).
- IUPAC Name:
- Essential oil of melaleuca alternifolia
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- - Purity: 100%
- Lot (batch) No.: 1215
- Expiration date of the lot: 30 March 2009
- Storage condition of test material: Room temperature, protected from light.
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- >= 2 510 - <= 314 000
- Temp.:
- 30 °C
- Remarks on result:
- other: The effect of pH on the partition coefficient was not assessed since the test substance does not possess a dissociation constant in environmental pH ranges.
- Type:
- log Pow
- Partition coefficient:
- >= 3.4 - <= 5.5
- Temp.:
- 30 °C
- Remarks on result:
- other: See above
- Details on results:
- The mean calibration curve was used to interpolate the results (see attached Figure 1). The mean calibration curve produced was log10Pow = 3.05 log10k + 2.45, where k = capacity factor = t1r / to = (tr - to) / to, and t1r = true retention time obtained by subtracting deadtime, or t0, of I.D.S. from measured retention time of sample or reference.
Figure 2 and Figure 3 (see attached) present examples of chromatograms of the standard mixture and test substance generated during this test.
The test substance eluted as a series of peaks between approximately 8 and 30 minutes and consequently the partition coefficient was reported as a range for the compounds. The range of log10 Pow values obtained for Tea Tree Oil was 3.4 to 5.5.
On analysis of the component substances, which represented the principal components of the test substance, the following retention times were obtained together with the calculated log10 Pow values:
- Alpha-terpineol: Retention time = 8.1 minutes, log10 Pow = 3.4
- Terpinen-4-ol: Retention time = 8.5 minutes, log10 Pow = 3.5
- Alpha-terpinene: Retention time = 24.5 minutes, log10 Pow = 5.2
- Gamma-terpinene: Retention time = 25.8 minutes, log10 Pow = 5.3
The chromatogram obtained for cineole showed that the compound was not detected by the HPLC method.
Applicant's summary and conclusion
- Conclusions:
- The range of partition coefficient values for Tea Tree Oil was found to be 2510 to 314000 (log10 Pow = 3.4 to 5.5).
- Executive summary:
A GLP-compliant study was carried out to determine the partition coefficient of Tea Tree Oil. The study followed the requirements of EEC method A8, OECD method 117 and OPPTS method 830.7570 without significant deviation. The range of partition coefficient values for Tea Tree Oil was found to be 2510 to 314000 (log10 Pow = 3.4 to 5.5).
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