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EC number: 441-000-4 | CAS number: 121219-07-6 1-ETHOXY-2,3-DIFLUORBENZOL; 1-ETHOXY-2,3-DIFLUOROBENZENE; 2,3-DIFLUOROPHENETOL; DIPHOL
- 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:
- 2002-05-08 to 2002-05-13
- 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
- Radiolabelling:
- no
- Test temperature:
- 25°C
- Details on study design: HPLC method:
- REAGENTS
Methanole, Chromasolv Riedel de Haen
Distilled water, Roth
Potassium phosphate monobasic, Fluka (KH2PO4)
Sodium hydroxide, Riedel de Haen
Hydrochloric acid, Merck
Buffer pH 6: 13.61g KH2PO4 dissolved in distilled water and filled up to a volume of 1000 mL. 100 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 6.0.
Dead time marker: Uracil, Riedel de Haen
Calibration substances
INSTRUMENTS
- Chromatographic apparatus
- Analytical balance Sartorius R160 P
- Ultrasonic bath Branson 3200
- General laboratory glassware
EQUIPMENT
- Apparatus:
HPLC pump G1311A
Autosampler G1313A
Column oven G1316A
UVA/IS detector G1314A by Agilent
Type: stationary phase: LiChrospher 100 CN 5µm by Duratec (18804-02)
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: 125 mm x4.6 mm; column temperature: 25 °C
MOBILE PHASES
- Type: methanol / buffer (pH 6.0) 55:45 (v/v), isocratic elution
- Experiments with additives carried out on separate columns: no
- Flow rate: 1.0 mL/min
- Detection wavelength: 220 nm
DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column. The dead time marker was injected in triplet as solutions in acetonitrile/distilled water (50:50) (v/v). The calibration substances were dissolved in acetonitrile and diluted 0.1 to 1 in the mobile phase and injected as single standards twice a time. The test substance was dissolved in methanol and diluted 0.1 to 1 in the mobile phase and injected twice a time
REFERENCE SUBSTANCES
- Identity: Benzamide, Acetanilide, Monuron, Aniline, 3,5-Dinitrobenzamide, Triadimenol, Linuron, Tertbutryn, Naphthalene, Trifluralin, Diclofop-methyl and Quintozen.
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 9.31 µg
- Quantity of reference substances:
Dead time marker: 2.72 µg
Calibration substances: 0.66-2.75 µg
Test item: 9.31 µg
REPETITIONS
- Number of determinations: 2 - Key result
- Sample No.:
- #2
- Type:
- Koc
- Value:
- 501.187 dimensionless
- Temp.:
- 25 °C
- Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 2.7 dimensionless
- Temp.:
- 25 °C
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration:
4 Measurement:
Benzamide: 1.95
Acetanilide: 2.17
Monuron: 2.55
Aniline: 2.19
3,5-Dinitrobenzamide: 2.55
Triadimenol: 2.99
Linuron: 3.54
Terbutryn: 2.99
Naphthalene: 3.91
Trifluralin: 8.75
Diclofop-methyl: 6.19
Quintozen: 6.73
5 Measurement:
Benzamide: 1.96
Acetanilide: 2.18
Monuron: 2.57
Aniline: 2.20
3,5-Dinitrobenzamide: 2.56
Triadimenol: 3.00
Linuron: 3.58
Terbutryn: 3.03
Naphthalene: 3.96
Trifluralin: 8.97
Diclofop-methyl: 6.36
Quintozen: 6.91
- Details of fitted regression line (Log k vs Log Koc)
4. Measurement: y = 2.2778x + 2.8473; R2 = 0.9154
5. Measurement: y = 2.2727x + 2.8213; R2 = 0.9167
- Graph of regression line attached: yes
- Average retention data for test substance: 3.18 min
- The adsorption coefficient of the test item was found to be: log Koc: 2.7 - Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient of the test substance has been determined according to the "HPLC- method" described in guideline 67/548/EEC, annex C.19 and OECD 121 (2001). The adsorption coefficient was found to be: log Koc = 2.7.
- 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 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 substance was derived from its retention time and the calibration graph. The adsorption coefficient was found to be: log Koc = 2.7.
Reference
Table 1: Determination of the Dead Time to
Dead time marker |
Retention time of substances “tr” in min |
|||
Measurement |
Measurement |
Measurement |
Mean |
|
Uracil |
1.70 |
1.69 |
1.69 |
1.69 |
Dead time to = 1.69 min
Table 2: Calibration Data - 4. Measurement (*from OECD guideline 121, adopted January 2001)
Calibration substance |
Inj. Retention time in min |
K |
log K |
log Koc* |
Benzamide |
1.95 |
0.15 |
-0.82 |
1.00 |
Acetanilide |
2.17 |
0.28 |
-0.55 |
1.25 |
Monuron |
2.55 |
0.51 |
-0.30 |
2.21 |
Aniline |
2.19 |
0.29 |
-0.54 |
2.07 |
3,5-Dinitrobenzamide |
2.55 |
0.50 |
-0.30 |
2.31 |
Triadimenol |
2.99 |
0.76 |
-0.12 |
2.40 |
Linuron |
3.54 |
1.09 |
0.04 |
2.59 |
Terbutryn |
2.99 |
0.76 |
-0.12 |
2.68 |
Naphthalene |
3.91 |
1.31 |
0.12 |
2.75 |
Trifluralin |
8.75 |
4.17 |
0.62 |
3.94 |
Diclofop-methyl |
6.19 |
2.66 |
0.42 |
4.20 |
Quintozen |
6.73 |
2.97 |
0.47 |
4.34 |
Regression: log Koc = a + bx logk
Parameters: a = 2.847; b = 2.278; r2 = 0.9154
Table 3: log Koc of the Test Substance - 4. Measurement
Test substance |
Inj. Retention time in min |
K |
log K |
log Koc |
1-Ethoxy-2,3-difluorbenzol |
3.16 |
0.86 |
-0.06 |
2.70 |
Table 4: Calibration Data - 5. Measurement (*from OECD guideline 121, adopted January 2001)
Calibration substance |
Inj. Retention time in min |
K |
log K |
log Koc * |
Benzamide |
1.96 |
0.16 |
-0.80 |
1.00 |
Acetanilide |
2.18 |
0.29 |
-0.54 |
1.25 |
Monuron |
2.57 |
0.52 |
-0.29 |
2.21 |
Aniline |
2.20 |
0.30 |
-0.53 |
2.07 |
3,5-Dinitrobenzamide |
2.56 |
0.51 |
-0.29 |
2.31 |
Triadimenol |
3.01 |
0.78 |
-0.11 |
2.40 |
Linuron |
3.58 |
1.11 |
0.05 |
2.59 |
Terbutryn |
3.03 |
0.79 |
-0.10 |
2.68 |
Naphthalene |
3.96 |
1.34 |
0.13 |
2.75 |
Trifluralin |
8.97 |
4.30 |
0.63 |
3.94 |
Diclofop-methyl |
6.36 |
2.75 |
0.44 |
4.20 |
Quintozen |
6.91 |
3.08 |
0.49 |
4.34 |
Regression: log Koc = a + bx logk
Parameters: a = 2.821; b = 2.273; r2 = 0.9167
Table 5: log Koc of the Test Substance - 5. Measurement
Test substance |
Inj. Retention time in min |
K |
log K |
log Koc |
1-Ethoxy-2,3-difluorbenzol |
3.18 |
0.88 |
-0.06 |
2.69 |
Table 6: log Koc of the Test Item
|
Log Koc |
4. Measurement |
2.70 |
5. Measurement |
2.69 |
Mean |
2.70 |
RSD % |
< 0.01 |
Description of key information
The adsorption coefficient of the test substance has been determined according to the "HPLC- method" described in guideline 67/548/EEC, annex C.19 and OECD 121 (2001). The adsorption coefficient was found to be: Koc = 501.187.
Key value for chemical safety assessment
- Koc at 20 °C:
- 501.187
Additional information
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 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 substance was derived from its retention time and the calibration graph. The adsorption coefficient was found to be: Koc = 501.187
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