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EC number: 238-620-0 | CAS number: 14576-08-0
- 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
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 01 June 2015 to 12 June 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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:
- (2008)
- Deviations:
- no
- 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:
- (2001)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Media:
- other: soil-adsorption reference data
- Radiolabelling:
- no
- Test temperature:
- 35°C ± 1°C
- Details on study design: HPLC method:
- EQUIPMENT
- Instrument: Acquity UPLC system (Waters, Milford, MA, USA)
- Detector: Acquity UPLC TUV detector (Waters)
- Column: Acquity UPLC HSS Cyano, 100 mm x 2.1 mm i.d., dp = 1.8 μm (Waters)
- Flow: 0.4 mL/min
- Injection volume: 5 µL
- UV detection: 210 nm
MOBILE PHASE
- Type: 30/70 (v/v) methanol/water
- pH: neutral (no buffers used)
- Solutes for dissolving test and reference substances: stock solutions in methanol; end solutions in 30/70 (v/v) methanol/water
DETERMINATION OF DEAD TIME
- Method: by inert substance which is not retained by the column (formamide)
REFERENCE SUBSTANCES
- Identity: Acetanilide; Monuron; 2,5-Dichloroaniline; Naphthalene; Benzoic acid phenylester; Fenthion.
- Stock solutions of approximately 1 g/L in methanol were diluted to obtain an end solution of 30/70 (v/v) methanol/water.
- The blank solution for the mixture of reference substances was 30/70 (v/v) methanol/water.
PREPARATION OF TEST SOLUTIONS
- A 2000 mg/L test substance stock solution in methanol was diluted to obtain a solution of 100 mg/L in 30/70 (v/v) methanol/water.
- The test substance blank solution was 30/70 (v/v) methanol/water.
REPETITIONS
- Number of determinations: 2 (for reference substances and test solutions); 1 (for blank solution)
EVALUATION
- Calculation of capacity factors k': k'= (tr-t0)/t0 where tr = reterntion time, t0 = mean column dead time
- Determination of the log Koc value: via linear regression; log k' = 0.728 x log Koc - 0.924 (r = 0.942, n = 12) - Key result
- Type:
- log Koc
- Value:
- 2.85 dimensionless
- Temp.:
- 35 °C
- Remarks on result:
- other: unbuffered mobile phase; Koc = 700
- Details on results (HPLC method):
- In the HPLC chromatograms of the test substance solution, one major peak and several small test substance peaks were observed. The small peaks eluted before the major peak. Measurements and results are summarized in the table below.
The test was performed at 35°C (i.e. the temperature of the column), but the log Koc value(s) obtained can be considered to represent the value(s) at an unspecified, probably ambient temperature (ca. 20°C) since no mention is made in the guidelines of the temperature at which the reference substance’s log Koc values were determined. Adsorption coefficients of the test and reference substances are assumed to vary with temperature in the same way. - Validity criteria fulfilled:
- yes
- Conclusions:
- Based on the HPLC estimation method at neutral pH using soil-adsorption reference data, the log Koc for Orange Flower Ether was determined to be 2.85 (Koc = 700).
- Executive summary:
The HPLC estimation method using soil-adsorption reference data was applied for the determination of the adsorption coefficient (Koc) of Orange Flower Ether. The mobile phase was 30/70 (v/v) methanol/water. The column temperature was 35°C. In the HPLC chromatogram of the test substance solution, one major peak and several small peaks were observed. The small peaks eluted before the major peak. The log Koc value of the substance (based on major peak in chromatogram) was 2.85 (Koc= 700). The study was performed in accordance with EC C.19 and OECD 121 and according to the principles of GLP.
Reference
Substance | tr,1 |
tr,2 |
mean tr |
log Koc |
Koc |
Formamide (t0) |
0.677 |
0.680 |
0.679 |
||
Acetanilide |
1.512 |
1.575 |
1.26 |
||
Monuron |
2.992 |
3.217 |
1.99 |
||
2,5-Dichloroaniline |
3.692 |
3.940 |
2.55 |
||
Naphthalene |
5.784 |
6.302 |
2.75 |
||
Benzoic acid phenylester |
12.075 |
13.654 |
2.87 |
||
Fenthion |
32.468 |
38.141 |
3.31 |
||
Test substance |
10.231 |
10.233 |
10.232 |
2.85 |
700 |
Remark: Log Koc values based on soil adsorption data (according to OECD 121)
A typical chromatogram is presented in the 'attached background material'.
Description of key information
The potential for adsorption/desorption is determined in a screening study according to OECD TG 121 and the log Koc value determined at 2.85 (Koc = 700 L/kg).
Key value for chemical safety assessment
- Koc at 20 °C:
- 700
Additional information
The adsorption behaviour of the substance was determined in a study according to OECD TG 121 (HPLC method) and in compliance with GLP criteria (WIL Research, 2015). In this study solutions of reference substances with known log Koc values based on soil adsorption data and the test substance were analysed by HPLC using a Acquity UPLC HSS Cyano column and 30/70 (v/v) methanol/water as mobile phase. The column temperature was 35°C. In the HPLC chromatogram of the test substance solution, one major peak and several small peaks were observed. The small peaks eluted before the major peak. The Koc value of the substance (based on major peak in chromatogram) was 700 L/kg (log Koc= 2.85).
[LogKoc: 2.85]
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