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EC number: 283-518-1 | CAS number: 84650-59-9 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Illicium verum, Illiciaceae.
- 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:
- 2 018
- Report date:
- 2019
Materials and methods
Test guidelineopen allclose all
- 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))
- Version / remarks:
- adopted 22. Jan. 2001
- Deviations:
- not specified
- 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))
- Version / remarks:
- Council Regulation (EC) No 440/2008 of 30 May 2008
- Deviations:
- not specified
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- other: soil and sewage sludge
Test material
- Reference substance name:
- (E)-anethole
- EC Number:
- 224-052-0
- EC Name:
- (E)-anethole
- Cas Number:
- 4180-23-8
- Molecular formula:
- C10H12O
- IUPAC Name:
- 1-methoxy-4-prop-1-en-1-ylbenzene
- Reference substance name:
- 4-allylanisole
- EC Number:
- 205-427-8
- EC Name:
- 4-allylanisole
- Cas Number:
- 140-67-0
- Molecular formula:
- C10H12O
- IUPAC Name:
- 1-allyl-4-methoxybenzene
- Reference substance name:
- Caryophyllene
- EC Number:
- 201-746-1
- EC Name:
- Caryophyllene
- Cas Number:
- 87-44-5
- Molecular formula:
- C15H24
- IUPAC Name:
- 4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
- Reference substance name:
- 2,6-dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene
- EC Number:
- 241-702-9
- EC Name:
- 2,6-dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene
- Cas Number:
- 17699-05-7
- Molecular formula:
- C15H24
- IUPAC Name:
- 2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene
- Test material form:
- liquid
Constituent 1
Constituent 2
1
Constituent 3
- Radiolabelling:
- no
Study design
- Test temperature:
- 25 ± 0.5 °C
HPLC method
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: HPLC Ultimate3000
- Type, material and dimension of analytical (guard) column: moderately polar analytical columns packed with a cyanopropyl solid phase containing lipophilic and polar moieties.
-Method parameters HPLC (used for the main test)
Column: Reprosil PurCN 125*4.6 mm with pre-column Phenom-enex SecurityGuard CN, 4x3 mm
Eluent*: isocratic methanol/water 55/45 (% v/v), degassed
Flow rate: 0.8 mL/min
Injection volume: 10 µL
Column temperature: 25 ± 0.5 °C.
Wavelengh for evaluation: 220 nm (reference mix), 200 nm (test item)
MOBILE PHASES
- Type: eluent 55% methanol and 45% water, isocratic
- Experiments with additives carried out on separate columns: no
- pH: 7
DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column (using an unretained compound (sodium nitrate) which was included in the mix of the reference items.)
REFERENCE SUBSTANCES
- Identity: Acetanilide (CAS#103-84-4, Batch: BCBN1982V, Purity: >= 99.0 %);
Methylbenzoate (CAS#93-58-3, Batch: BCBM9662V, Purity: >= 99.5 %);
Naphthalene (CAS#91-20-3, Batch: BCBM9272V, Purity: >= 99.7 %);
1,2,3-Trichlorobenzene (CAS#87-61-6, Batch: MKBN5959V, Purity: 99.0 %);
Phenanthrene (CAS#85-01-8, Batch: 10506, Purity: 99.5 %);
4,4’-DDT (CAS#50-29-3, Batch: SZBE057XV, Purity: 98.7 %)
REPETITIONS
- Number of determinations: 3
Results and discussion
Adsorption coefficientopen allclose all
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 1.491 dimensionless
- Temp.:
- 25 °C
- Sample No.:
- #2
- Type:
- log Koc
- Value:
- 1.68 dimensionless
- Temp.:
- 25 °C
- Sample No.:
- #3
- Type:
- log Koc
- Value:
- 2.593 dimensionless
- Temp.:
- 25 °C
- Key result
- Sample No.:
- #4
- Type:
- log Koc
- Value:
- 2.786 dimensionless
- Temp.:
- 25 °C
Results: HPLC method
- Details on results (HPLC method):
- Five test item peaks were detected.
As peaks 1 – 3 and 5 showed a relative area < 5 %, they were considered as minor peaks.
Although area is not necessarily correlated to absolute concentration if a UV detector is used, it is assumed that the test item consists mainly of the peak 4. Using the correlation log k / log POW, the log KOC of the major components of the test item Essential oil of Star Anise Oil (Illicium verum) obtained from the leaves and fruits by steam distillation was calculated as 2.786 ± 0.053 (mean ± standard deviation).
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- This study was performed in order to estimate the adsorption coefficient on soil and sew-age sludge of Essential oil of Star Anise Oil (Illicium verum) obtained from the leaves and fruits by steam distillation using the HPLC-method. Using the correlation log k / log POW, the log KOC of the major components of the test item Essential oil of Star Anise Oil (Illicium verum) obtained from the leaves and fruits by steam distillation was calculated as 2.786 ± 0.053 (mean ± standard deviation).
- Executive summary:
The study was performed using a HPLC with a cyanopropyl chemical bound resin on a silica basecolumn. Six reference items with different retention times were used to produce a calibration curve, since retention time on cyanopropyl columns and KOCare correlated. The reference items were chosen on behalf of the retention time of the test itemEssential oil of Star Anise Oil (Illicium verum) obtained from the leaves and fruits by steam distillationon the column during the results of the pre-test.
A solvent blank followed by three injections of a solution of the reference items were analysed with HPLC, then three injections of a solution of the test item; and finally three injections of the solution with the reference items, in total ten runs.
For each reference item, the capacity factor k’ was calculated from the retention time of sodium nitrate and the retention time of the respective reference item. A calibration function was set up using the literature values for KOCof the reference items and the mean capacity factor of the six determinations. In the graph log k’ versus log KOC, linear regression was performed, giving r2= 0.9897 and r = 0.9948.
The chromatogram of the test item gave one main peak and four small peak with relative peak area > 5% each. With the calibration function log k’ versus log KOC, the corresponding log KOCs were determined as:
Peak
Mean Relative Peak area [%]
Mean Retention Time [min]
Log KOC+sd1
1
0.19
2.811
1.491 ± 0.005
2
0.60
3.000
1.680 ± 0.000
3
3.39
4.242
2.593 ± 0.000
4
95.22
4.592
2.786 ± 0.000
5
0.59
22.375
> 5.632
1sd = standard deviation
2Test item peak 5 lay outside the calibrated range (with log KOC+sd6.116 ± 0.029). The log KOCof this peak is stated as > 5.63 (log KOCof DDT as reference item with the highest log KOC) therefore.
These values are the means ± standard deviation of three independent determinations
Although area is not necessarily correlated to absolute concentration if a UV detector is used, it is assumed that the test item consists mainly of the peak 4. Using the correlation log k / log POW, the log KOCof the major components of the test itemEssential oil of Star Anise Oil (Illicium verum) obtained from the leaves and fruits by steam distillationwas calculated as2.786±0.053 (mean ± standard deviation).
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