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EC number: 443-090-0 | 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:
- From June 12, 2002 to June 12, 2002
- 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))
- 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))
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Radiolabelling:
- no
- Test temperature:
- 20°C
- Details on study design: HPLC method:
- REAGENTS
- Methanol, Chromasolv Riedel de Haen
- Distilled water, Roth
- Potassium phosphate monobasic, Fluka (KH2PO4)
- Sodium hydroxide (c = 1 mole/L), Riedel de Haen
- Hydrochloric acid (c = 1 mole/L), Merck
- Buffer pH: 8 (136.1 g KH2PO4 dissolved in distilled water and filled up to a volume of 1000 mL. 50 mL of this solution and 30 mL sodium hydroxide solution (c = 1 mole/L) diluted with distilled water and filled up to a volume of 1000 mL with distilled water, the pH value was adjusted to 8.0.)
- Dead time marker: Uracil, Riedel de Haen
- Calibration substances (Merck, Aldrich, Riedel de Haen): Benzamide, Acetanilide, Aniline, Monuron, 3,5-dinitrobenzamide, Triadimenol, Linuron, Terbutryn, Naphthalene, Direct Red 81
CHROMATOGRAPHIC CONDITIONS
The chromatographic conditions were the same for the determination of ‘dead time’, the establishment of the calibration graph and the measurement of the test substance.
HPLC EQUIPMENT
- HPLC pump G1311A, autosampler G1313A, column oven G1316A and UV/VIS detector G1314A by Agilent
COLUMN
- Material: stainless steel, dimensions: 125 mm x 4.6 mm by Duratec (18904-02)
- Stationary phase: LiChrospher 100 CN 5 µm
- Column temperature: 20°C
MOBILE PHASE
- Methanole/buffer pH 8.0, 25 : 75 (v/v), isocratic elution
- Flow rate: 1.0 mVmin
INJECTION VOLUME:
- Dead time marker: 10 µL
- Test substance: 25 µL
- Calibration substances (without Direct Red): 10 µL
- Direct Red and test substance: 100 µL
INJECTION AMOUNTS
- Dead time marker: 2.72 ug
- Calibration substances: 0.71 - 7.42 µg
- Test substance: 3.91 µg
- The dead time marker was injected twice as solutions in acetonitrile/distilled water (50:50)
(vlv). The calibration substances (without Direct Red) were dissolved in acetonitrile and diluted 0.1 to 1 in the mobile phase and injected as single standards twice. Direct Red and the test substance were dissolved in distilled water and diluted 0.1 to 1 in buffer pH 8 and injected as single solutions twice.
DETECTION WAVELENGTH
- Dead time marker: 220 nm
- Calibration substances (without Direct Red): 220 nm
- Direct Red: 395 nm
- Test substance: 290 nm - Analytical monitoring:
- not specified
- Type:
- log Koc
- Value:
- -0.24
- Temp.:
- 20 °C
- Remarks on result:
- other: 0.12 (standard deviation)
- Details on results (HPLC method):
- Dead Time = 1.80 min
Log Koc of the test substance = -0.24 - Validity criteria fulfilled:
- yes
- Conclusions:
- Under the conditions of the study, the adsorption coefficient (log Koc) of the test substance was determined to be -0.24.
- Executive summary:
A study was conducted to determine the adsorption coefficient of the test substance according to the "HPLC method" described in the EU Method C.19 and OECD Guideline 121, in compliance with GLP.
The test substance was injected twice into an HPLC column where the stationary phase was composed of LiChrospher 100 CN (5 µm) and methanole/buffer pH 8.0 (25:75 v/v) was used as the mobile phase. A calibration graph was drawn by measuring the retention times of a series of substances with known adsorption coefficients. The adsorption coefficient of the test substance was derived by comparing its retention time with the calibration curve. Detection of the test substance was carried out at 290 nm.
Under the conditions of the study, the adsorption coefficient (log Koc) of the test substance was determined to be -0.24.
Reference
Table 1: Determination of the Dead Time (t0)
Dead time marker |
tRin min Measurement 1 |
tRin min Measurement 2 |
tRin min Mean |
Uracil |
1.80 |
1.80 |
1.80 |
Table 2:Calibration Data- 1. Measurement
(* from OECD guideline 121, adopted January 2001.)
Calibration substance |
1. lnj. tRin min
|
k |
Log k |
Log Koc* |
Benzamide |
2.98 |
0.66 |
-0.18 |
1.00 |
Acetanilide |
3.85 |
1.14 |
0.06 |
1.25 |
Aniline |
3.29*2 |
0.83 |
-0.08 |
2.07 |
Monuron |
6.92 |
2.85 |
0.45 |
2.21 |
3,5-Dinitrobenzamide |
3.83*2 |
1.13 |
0.05 |
2.31 |
Triadimenol |
17.99 |
9.01 |
0.95 |
2.40 |
Linuron |
21.08 |
10.72 |
1.03 |
2.59 |
Terbutryn |
22.05 |
11.26 |
1.05 |
2.68 |
Naphthalene |
22.71 |
11.63 |
1.07 |
2.75 |
Direct Red 81 |
26.77 |
13.89 |
1.14 |
3.43 |
2not used for calculation
Regression: log Koc =a +b ×log k
Parameters:
a =1.26
b = 1.47
r2=0.8996
Table 3: Log Koc of the Test Substance – 1. Measurement
Calibration substance |
1. lnj. tRin min
|
k |
Log k |
Log Koc |
Reaktiv Gelb F-97494 |
1.99 |
0.11 |
-0.96 |
-0.16 |
Table 4:Calibration Data- 2. Measurement
* from OECD guideline 121, adopted January 2001.
Calibration substance |
1. lnj. tRin min
|
k |
Log k |
Log Koc* |
Benzamide |
2.94 |
0.64 |
-0.20 |
1.00 |
Acetanilide |
3.77 |
1.10 |
0.04 |
1.25 |
Aniline |
3.20*2 |
0.78 |
-0.11 |
2.07 |
Monuron |
6.69 |
2.72 |
0.43 |
2.21 |
3,5-Dinitrobenzamide |
3.70*2 |
1.06 |
0.02 |
2.31 |
Triadimenol |
17.29 |
8.61 |
0.94 |
2.40 |
Linuron |
20.32 |
10.30 |
1.01 |
2.59 |
Terbutryn |
21.27 |
10.83 |
1.03 |
2.68 |
Naphthalene |
21.93 |
11.19 |
1.05 |
2.75 |
Direct Red 81 |
24.26 |
12.49 |
1.10 |
3.43 |
2not used for calculation
Regression: log Koc =a +b ×log k
Parameters:
a =1.29
b = 1.47
r2=0.8900
Table 5: Log Koc of the Test Substance – 2. Measurement
Calibration substance |
1. lnj. tRin min
|
k |
Log k |
Log Koc |
Reaktiv Gelb F-97494 |
1.94 |
0.08 |
-1.10 |
-0.32 |
Table 6:Log Koc of the Test Substance
|
log Koc |
1. Measurement |
-0.16 |
2. Measurement |
-0.32 |
Mean |
-0.24 |
Standard deviation |
0.12 |
RSD% |
50 |
Description of key information
Under the conditions of the study, the adsorption coefficient (log Koc) of the test substance was determined to be -0.24.
Key value for chemical safety assessment
- Koc at 20 °C:
- 0.575
Additional information
A study was conducted to determine the adsorption coefficient of the test substance according to the "HPLC method" described in the EU Method C.19 and OECD Guideline 121, in compliance with GLP. The test substance was injected twice into an HPLC column wherethe stationary phase was composed of LiChrospher 100 CN (5 µm) and methanole/buffer pH 8.0 (25:75 v/v) was used as the mobile phase.A calibration graph was drawn by measuring the retention times of a series of substances with known adsorption coefficients. The adsorption coefficient of the test substance was derived by comparing its retention time with the calibration curve.Detection of the test substance was carried out at 290 nm. Under the conditions of the study, the adsorption coefficient (log Koc) of the test substance was determined to be -0.24.
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