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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.
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- 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 C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
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:
- - Physical state: Liquid.
- Purity: 100%
- Composition of test material: Composition meets ISO Standard 4730-2004 Oil of Melaleuca, terpinen-4-ol type (Tea Tree Oil).
- Lot No.: 1215
- Lab No.: 1536
- Expiration date of the lot: 30 March 2009
- Storage condition of test material: Room temperature, protected from light.
Since the test substance consists of a complex mixture of components, the following materials were obtained for use on this study. The compounds represented the principal components of Tea Tree Oil:
Cineole (Grade: 99%; Supplier: Acros)
Terpinen-4-ol (Grade: 97%; Supplier: Acros)
Alpha-terpinene (Grade: 90%; Supplier: Acros)
Alpha-terpineol (Grade: 99%; Supplier: Acros)
Gamma-terpinene (Grade: 98+%; Supplier: Acros) - Radiolabelling:
- no
Study design
- Test temperature:
- Column temperature: 25°C
HPLC method
- Details on study design: HPLC method:
- - Reference substances: In order to correlate the measured capacity factor (k) of the test material with its Koc, six reference materials were selected from a list of recommended compounds. These reference compounds were selected to have log10Koc values between 1.3 and 5.6 (see 'Any other information on materials and methods' for further details).
- Method of determination of dead time: An internal standard (formamide) with no retention on the HPLC column was used to determine the deadtime of the HPLC system.
- Procedure: A solution of Tea Tree Oil (552 mg/l in HPLC mobile phase, and also containing I.D.S. (406 mg/l)) was prepared and chromatographed in duplicate, bracketed by samples of the reference mixture, using the following conditions:
- Instrument: Hewlett Packard 1050 Liquid Chromatograph
- Column: Hypersil CPS (25 cm x 4.6 mm internal diameter)
- Column temperature: 25°C
- Mobile phase composition: Acetonitrile:water (55:45 v/v)
- Flow rate: 1.0 ml/min
- Injection volume: 20 μl
- Detector: UV set at 210 nm
Since the test substance consists of a complex mixture, solutions of the component substances were analysed by the method in order to assign identities to the peaks detected.
- Calculations: The mean calibration curve produced was: log10Koc = 3.46 log10k + 3.83, where k = capacity factor = t'r / t0 = (tr - t0) / t0, and t'r = true retention time obtained by subtracting deadtime, or t0, of I.D.S. from measured retention time of sample or reference.
Results and discussion
Adsorption coefficient
- Type:
- other: log10Koc
- Value:
- >= 2.3 - <= 5 dimensionless
- Remarks on result:
- other: Since the test substance was a compex mixture of components, the adsorption coefficient was reported as a range for the compounds.
Results: HPLC method
- Details on results (HPLC method):
- Table 1 (see 'Any other information on results') presents the primary data from which the calibration curve (see attached Figure 1) was generated. Figures 2 and 3 (see attached) present examples of chromatograms of the standard mixture and test substance generated during this test. The mean calibration curve was used to interpolate the results.
The test substance eluted as a series of peaks between approximately 4 and 10 minutes and consequently the adsorption coefficient was reported as a range for the compounds. The range of log10Koc values obtained for Tea Tree Oil was 2.3 to 5.0.
On analysis of the individual substances, which represented the principal components of the test substance, it was found that: terpinen-4-ol and alpha-terpineol eluted at approximately the same retention time and corresponded to the peak at 4.4 minutes in Tea Tree Oil; and alpha-terpinene and gamma-terpinene also eluted at approximately the same retention time and corresponded to the peak at 6.0 minutes in Tea Tree Oil. The chromatogram obtained for cineole showed that the compound was not detected by the HPLC method.
From the analysis of the individual substances it was established that terpinen-4-ol and alpha-terpineol had a log10Koc value of 2.3, and alpha-terpinene and gamma-terpinene had a log10Koc value of 3.6 (see Table 2 in 'Any other information on results').
Any other information on results incl. tables
Table 1. HPLC determination of log10Koc for Tea Tree Oil.
Sample | Component | tr (minutes) | k | log10k | log10Koc |
Standard Run A (t0 = 3.216 minutes) |
Acetanilide | 3.756 | 0.168 | -0.775 | 1.25 |
Aniline | 4.379 | 0.362 | -0.442 | 2.07 | |
Naphthalene | 5.347 | 0.663 | -0.179 | 2.75 | |
2-Methylnaphthalene | 5.980 | 0.859 | -0.066 | 3.87 | |
Anthracene | 8.049 | 1.503 | 0.177 | 4.41 | |
DDT | 13.249 | 3.120 | 0.494 | 5.63 | |
Sample A (t0 = 3.216 minutes) |
Tea Tree Oil | 4.382 | 0.363 | -0.441 | 2.31 |
10.094 | 2.139 | 0.330 | 4.98 | ||
Sample B (t0 = 3.216 minutes) |
Tea Tree Oil | 4.383 | 0.363 | -0.440 | 2.31 |
10.101 | 2.141 | 0.331 | 4.98 | ||
Standard Run B (t0 = 3.218 minutes) |
Acetanilide | 3.760 | 0.168 | -0.774 | 1.25 |
Aniline | 4.384 | 0.362 | -0.441 | 2.07 | |
Naphthalene | 5.354 | 0.664 | -0.178 | 2.75 | |
2 -Methylnaphthalene | 5.989 | 0.861 | -0.065 | 3.87 | |
Anthracene | 8.064 | 1.506 | 0.178 | 4.41 | |
DDT | 13.275 | 3.125 | 0.495 | 5.63 |
Linear regression (based on mean of standard runs A and B): log10Koc = 3.46 log10k + 3.83
Table 2. log10Koc for components of Tea Tree Oil.
Component | Retention time (minutes) | log10Koc |
Cineole | Not detected | - |
Terpinen-4-ol | 4.4 | 2.3 |
Alpha-terpineol | 4.4 | 2.3 |
Alpha-terpinene | 6.0 | 3.6 |
Gamma-terpinene | 6.0 | 3.6 |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The range of log10Koc values for Tea Tree Oil was from 2.3 to 5.0.
- Executive summary:
A study was performed to determine the adsorption/desorption coefficient of the test substance, tea tree oil. The test was conducted according to the procedure described in EEC Method C19, OECD Method 121. Since the test substance was a complex mixture of components the adsorption coefficient was reported as a range. The range of log10Koc values for tea tree oil was from 2.3 to 5.0.
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