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EC number: 436-120-9 | CAS number: 99627-05-1
- 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:
- from 2004-04-26 to 2004-05-4
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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 (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- Radiolabelling:
- no
- Test temperature:
- 25 °C
- Details on study design: HPLC method:
- REAGENTS
Acetonitrile, Chromasolv Riedel de Haen
Methanol, Chromasolv Riedel de Haen
Cleaned water (laboratory equipment)
Distilled water, Roth
Dead time marker: Formamide, Merck
Calibration substances
INSTRUMENTS
- Chromatographic apparatus
- Analytical balance Sartorius R160 P
- Variable pipettes, Brand
- General laboratory glassware
EQUIPMENT
- Apparatus:
HPLC pump G1312A
Autosampler G1313A
Column oven G1316A
Degaser G1322A
Diode Array Detector G1315B
- Type: Agilent stationary phase: LiChrospher 100 CN 5 pm by Duratec (17405-02)
- Type, material and dimension of analytical (guard) column: Reversed phase column packed with a commercially available cyanopropyl solid phase containing lipophilic and polar moieties; dimensions: 250 mm x 4.6 mm; column temperature: 25 °C
MOBILE PHASES
- Type: methanol / cleaned water 30:70 % (v/v), isocratic elution
- Experiments with additives carried out on separate columns: no
- Flow rate: 1.0 mL/min
- Injection volume: 10 µL
- Detection wavelength: 210 nm
DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column. The dead time marker and the calibration substances were dissolved in acetonitrile and diluted 0.1 to 1 in methanol / distilled water 30:70 % (v/v) and injected as single standards twice. The item was dissolved in methanol and diluted 0.1 to 1 in methanol / distilled water 30:70 % (v/v) and injected as single solution twice.
REFERENCE SUBSTANCES
- Identity: Acetanilide, Phenole, Atrazin, Monuron, Triadimenole, Linuron and Naphthalene
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 0.53 µg
- Quantity of reference substances:
Dead time marker: 16.4 µg
Calibration substances: 0.65 - 2.19 µg
Test item: 0.53 µg
REPETITIONS
- Number of determinations: 2
- Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 1.66 dimensionless
- Key result
- Sample No.:
- #2
- Type:
- log Koc
- Value:
- 1.66 dimensionless
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration:
1 Measurement:
Acetanilide: 5.97 min
Phenole 5.53 min
Atrazin: 9.16 min
Monuron 9.12 min
Triadimenole: 16.51 min
Linuron: 18.98 min
Naphtalene: 20.73 min
2 Measurement:
Acetanilide: 5.97 min
Phenole 5.53 min
Atrazin: 9.16 min
Monuron 9.12 min
Triadimenole: 16.51 min
Linuron: 18.98 min
Naphtalene: 20.73 min
- Details of fitted regression line (log k' vs. log Koc):
1. Measurement: y = 1.5916x + 1,5431; R2 = 0.9769
2. Measurement: y = 1,5915x + 1,5431; R2 = 0.9768
- Graph of regression line attached: yes
- Average retention data for test substance: 7.46 min
- The adsorption coefficient of the test item was found to be: log Koc: 1.66 - Transformation products:
- no
- Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient of the test item was determined according to the "HPLC-method" described in guideline 67/548/EEC, annex C.19 and OECD 121 (2001). The adsorption coefficient of the test item was found to be: log Koc = 1.66.
- Executive summary:
The HPLC method is based on the correlation between the retention of a substance on a reversed phase column packed with a commercially available cyanopropyl solid phase containing lipophilic and polar moieties and the adsorption coefficient Koc. The dead time is determined by using a "dead time marker". For the calibration the retention times of a series of substances with known adsorption coefficients were measured and a calibration graph was established. The adsorption coefficient of the test item was derived from its retention time and the calibration graph. The adsorption coefficient of the test item was found to be log Koc = 1.66.
Reference
Table 1: Determination of the Dead Time to
Dead time marker |
Retention time of substances “tr” in min |
||
Measurement |
Measurement |
Mean |
|
Formamide |
3.40 |
3.41 |
3.41 |
Dead time: to= 3.40 min
Table 2: Calibration Data - 1. Measurement (*from OECD guideline 121, adopted January 2001)
Calibration substance |
Inj. Retention time in min |
K |
Log K |
Log Koc* |
Acetanilide |
5.98 |
0.76 |
-0.12 |
1.25 |
Phenole |
5.53 |
0.62 |
-0.21 |
1.32 |
Atrazin |
9.14 |
1.69 |
0.23 |
1.81 |
Monuron |
9.12 |
1.68 |
0.23 |
1.99 |
Triadimenole |
16.49 |
3.85 |
0.58 |
2.40 |
Linuron |
19.01 |
4.59 |
0.66 |
2.59 |
Naphthalene |
20.74 |
5.09 |
0.71 |
2.75 |
Regression: log Koc = a + bx logk
Parameters: a = 1.54; b= 1.59; r2 = 0.9769
Table 3: log Koc of the Test Item - 1. Measurement
|
Inj. Retention time in min |
K |
Log K |
Log Koc |
Test Item |
7.41 |
1.18 |
0.07 |
1.66 |
Table 4: Calibration Data – 2.. Measurement (*from OECD guideline 121, adopted January 2001)
Calibration substance |
Inj. Retention time in min |
K |
Log K |
Log Koc* |
Acetanilide |
5.97 |
0.75 |
-0.12 |
1.25 |
Phenole |
5.53 |
0.62 |
-0.20 |
1.32 |
Atrazin |
9.16 |
1.69 |
0.23 |
1.81 |
Monuron |
9.12 |
1.68 |
0.23 |
1.99 |
Triadimenole |
16.51 |
3.85 |
0.59 |
2.40 |
Linuron |
18.98 |
4.58 |
0.66 |
2.59 |
Naphthalene |
20.73 |
5.09 |
0.71 |
2.75 |
Regression: log Koc = a + bx logk
Parameters: a = 1.54; b= 1.59; r2 = 0.9768
Table 5: log Koc of the Test Item - 2. Measurement
|
Inj. Retention time in min |
K |
Log K |
Log Koc |
Test Item |
7.46 |
1.19 |
0.08 |
1.66 |
Table 6: log Koc of the Test Item
|
Log Koc |
1. Measurement |
1.66 |
2. Measurement |
1.66 |
Mean |
1.66 |
Description of key information
The adsorption coefficient of the test item was determined according to the HPLC-method (reference 5.4.1 -1) described in guideline 67/548/EEC, annex C.19 and OECD 121 (2001). The adsorption coefficient of the test item was found to be: log Koc: 1.66.
Key value for chemical safety assessment
- Koc at 20 °C:
- 45.7
Additional information
The adsorption coefficient of the test item was determined according to the HPLC-method (reference 5.4.1 -1) described in guideline 67/548/EEC, annex C.19 and OECD 121 (2001) under GLP conditions. The HPLC method is based on the correlation between the retention of a substance on a reversed phase column packed with a commercially available cyanopropyl solid phase containing lipophilic and polar moieties and the adsorption coefficient Koc. The dead time is determined by using a "dead time marker". For the calibration the retention times of a series of substances with known adsorption coefficients were measured and a calibration graph was established. The adsorption coefficient of the test item was derived from its retention time and the calibration graph. The adsorption coefficient of the test item was found to be log Koc = 1.66.
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