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EC number: 908-114-0 | CAS number: -
- 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:
- 05 Jan 2018
- 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:
- 2016
- 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:
- soil
- Radiolabelling:
- no
- Test temperature:
- Column temperature: 35°C ± 1°C
- Details on study design: HPLC method:
- PKA CALCULATION
pKa acidic: none; pKa basic: none (Perrin calculation method for the logarithm range of 1 - 14, pKalc 5.0, module in Pallas 3.0, CompuDrug International, USA).
HPLC CONDITIONS
- Apparatus: Acquity UPLC system (Waters, USA)
- Column: Acquity UPLC HSS Cyano, 100 mm x 2.1 mm i.d., dp = 1.8 µm (Waters)
- Injection volume: 5 μL
- Detector: Acquity UPLC TUV (Waters)
- UV detection: 210 nm
MOBILE PHASE
- Type: unbuffered mobile phase
- Composition: 55/45 (v/v) methanol/water
- Flow: 0.4 mL/min
DETERMINATION OF DEAD TIME
- Method: by inert substance which is not retained by the column
- A solution of formamide was prepared in 55/45 (v/v) methanol/water from a stock solution (5 g/L) in methanol.
REFERENCE ITEMS
- Identity: Acetanilide, Monuron, 2,5-Dichloroaniline, Naphthalene, Benzoic acid phenylester, Fenthion, Phenanthrene and 4,4’-DDT.
- Solutions of the reference items were prepared in 55/45 (v/v) methanol/water from stock solutions (ca. 1 g/L) in methanol.
TEST ITEM
- A 10 mg/L test item solution was prepared in 55/45 (v/v) methanol/water from a stock solution (1 g/L) in methanol.
DETERMINATION OF RETENTION TIMES
- Duplicate injections of the unretained substance, reference items and test item.
- Single injection of the blank (55/45 (v/v) methanol/water).
DATA HANDLING
- Dead time (t0) = mean retention time of the unretained substance
- Calculation of capacity factor k' of each compound from its retention time : k' = (tr-t0)/t0
- Log k’ values (references items) were plotted against their known log Koc values using linear regression analysis (least squares method).
- Log Koc of the substance was calculated by substituting its mean log k’ in the regression line (log k' vs log Koc). - Type:
- Koc
- Value:
- 7 100 L/kg
- Temp.:
- 20 °C
- Remarks on result:
- other: for the constituents with peak area of 65%
- Type:
- log Koc
- Value:
- 3.85 dimensionless
- Temp.:
- 20 °C
- Remarks on result:
- other: For the constituent with peak area of 65%. Unbuffered mobile phase.
- Key result
- Type:
- Koc
- Value:
- 3 300 L/kg
- Temp.:
- 20 °C
- Remarks on result:
- other: for the constituents with peak area of 65%
- Remarks:
- Citronellyl Acetate mono
- Type:
- log Koc
- Value:
- 3.52 dimensionless
- Temp.:
- 20 °C
- Remarks on result:
- other: For the constituent with peak area of 35%. Unbuffered mobile phase.
- Details on results (HPLC method):
- - Retention times of reference items used for calibration: see table below
- Details of fitted regression line: log k’ = 0.304 log Koc– 0.878 (r=0.98, n=16)
- Graph of regression line attached.
- The chromatogram of the test item showed two major test item peaks.
- Average retention data for the test item: see table below
- The value of log Koc obtained from duplicate measurements was within ± 0.25 log units. - Validity criteria fulfilled:
- yes
- Remarks:
- The study is performed according to the guidelines
- Conclusions:
- Using the HPLC estimation method, the log Koc at neutral pH and ca. 20°C for the constituent with peak area of 65% was determined to be 3.85 (Koc= 7.1E3). The log Koc for the constituent with peak area of 35% was determined to be 3.52 (Koc= 3.3E3).
- Executive summary:
The adsorption coefficient (Koc) of the substance was determined using the HPLC estimation method based on soil-adsorption reference data. The study was performed in accordance with EC C.19 and OECD 121 and in compliance with GLP. Formamide was used as unretained substance. For the construction of the regression line, 8 references substances with known log Koc values (at ca. 20°C) in the range of 1.26 and 5.63 were used. Duplicate injections of unretained substance, reference items and test item in an UPLC-UV system. The mobile phase was 55/45 (v/v) methanol/water and the wavelength of detection was 210 nm. The stationary phase contained cyanopropyl chains chemically bonded to silica. Each chromatogram of the test item showed two test item peaks. The corresponding log Koc values were calculated from the regression line.
The log Koc at neutral pH and ca. 20°C for the constituent with peak area of 65% was determined to be 3.85 (Koc= 7.1E3). The log Koc for the constituent with peak area of 35% was determined to be 3.52 (Koc= 3.3E3). The value of 3.85 will therefore be the main value for this substance.
Reference
Table: Results Adsorption coefficient (HPLC estimation method)
Substance |
Retention time (min) |
log Koc |
Koc |
Peak area |
||
RT1 |
RT2 |
mean |
||||
Formamide (t0) |
0.688 |
0.688 |
0.688 |
|
|
|
Acetanilide |
0.874 |
0.873 |
|
1.26 |
|
|
Monuron |
1.046 |
1.042 |
|
1.99 |
|
|
2,5-Dichloroaniline |
1.157 |
1.156 |
|
2.55 |
|
|
Naphthalene |
1.323 |
1.322 |
|
2.75 |
|
|
Benzoic acid phenylester |
1.540 |
1.529 |
|
2.87 |
|
|
Fenthion |
1.965 |
1.957 |
|
3.31 |
|
|
Phenanthrene |
2.177 |
2.157 |
|
4.09 |
|
|
4,4’-DDT |
4.754 |
4.729 |
|
5.63 |
|
|
Test item – peak 1 |
1.760 |
1.758 |
1.759 |
3.52 |
3.3E3 |
35 |
Test item – peak 2 |
2.036 |
2.034 |
2.035 |
3.85 |
7.1E3 |
65 |
Remark: the log Koc values of the reference items are as mentioned in OECD TG 121 (based on soil adsorption data).
Description of key information
The adsorption coefficient (Koc) of the substance was determined using the HPLC estimation method based on soil-adsorption reference data. The study was performed in accordance with EC C.19 and OECD 121 and in compliance with GLP. Formamide was used as unretained substance. For the construction of the regression line, 8 references substances with known log Koc values (at ca. 20°C) in the range of 1.26 and 5.63 were used. Duplicate injections of unretained substance, reference items and test item in an UPLC-UV system. The mobile phase was 55/45 (v/v) methanol/water and the wavelength of detection was 210 nm. The stationary phase contained cyanopropyl chains chemically bonded to silica. Each chromatogram of the test item showed two test item peaks. The corresponding log Koc values were calculated from the regression line.
The log Koc at neutral pH and ca. 20°C for the constituent with peak area of 65% was determined to be 3.85 (Koc= 7.1E3). The log Koc for the constituent with peak area of 35% was determined to be 3.52 (Koc= 3.3E3). The value of 3.85 will therefore be the main value for this substance.
Key value for chemical safety assessment
- Koc at 20 °C:
- 7 100
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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