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EC number: 413-750-2 | CAS number: 171090-93-0 ANOX 1315; ANOX BF; DURAD AX 38
- 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:
- 23 June 1997 - 01 July 1997
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to 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))
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Media:
- soil
- Radiolabelling:
- no
- Test temperature:
- 20˚C in a temperature controlled room
- Details on study design: HPLC method:
- Experimental Conditions
Equipment
- normal laboratory glassware and instrumentation
- Waters 6OOE HPLC pump
- Waters 486 UV detector
- Waters WISP 71 7 autosampler
- Hypersil CPS, 5 pm panicle size, 21-0 s 4 mm, Batch 3756, Bischoff, Germany
Reagents
- Water, bidistilled grade
- Potassium dihydrogencitrate (Merck 4848, Germany)
- Sodium hydroxide (Merck 9136.9025, Germany)
- Methanol (Baker 9262-03, Germany)
- Helium 5.0, 99.999 Vol O;b for degassing (SWF, Germany)
High Performance Liquid Chromatographic Determination
A liquid chromatograph, fitted with a pulse-free pump and a UV detector has used. The injection was performed by a valve with an injection loop as given by autosamplers Commercial microparticulate bonded resins on a silica basis was used. A guard column was positioned between the injection system and the analytical column
HPLC grade methanol, distilled water and citrate buffer were used to prepare the eluting solvent, which was degassed before use lsocratic elution was employed. No additives such as ion pair reagents were used, because they would change the properties of the stationary phase Since these changes may be irreversible. The column was never used with additives. before Because the test substance contains protonable functional groups the use of buffer solution to stabilise pH was
recommended
The samples were directly injected from methanol solution. The method was based on the following parameters:
Pump: Waters 600E
Injector: Waters WISP 717
Detector: Waters 486
Column specification: Hypersil-CPS, 5 µm. 220 x 40 mm including precolumn
Column temperature: 20˚C
Injection volume: 10 µL for the reference substances, 20 µL for the test substances
Detection wavelength: 223 nm for the reference substances, 276 nm for the test substance
Mobile phase: Methanol / 0.1 M citrate-buffer pH 6.0 (60 / 40; v / v)
Flow rate: 1 mL/min
Solutes
The test and reference compounds were the purest available. Compounds used for the test or calibration purposes were dissolved in methanol, a solvent also part of the mobile phase To minimise effects of pure methanol on the column, the injection volume was 10 µL for the reference substances and 20 µl for the test substance at each injection, only.
Test Conditions
The measurements was performed at 20˚C in a temperature controlled room - Key result
- Type:
- Koc
- Value:
- > 5
- Temp.:
- 20 °C
- Remarks on result:
- other: Based on impurity
- Details on results (HPLC method):
- The retention times of all reference substances were analysed four times and met with the requirements of the method.
The concentration of the ANOX BF solution injected for the determination of retention times was 4240 mg/L This was 84800 ng injected in 20 uL.
The retention times of the first peak of the test substance showed minor ditierences The second peak L\as not detectable in a mobile phase composed by nlethanoli 0.1 M citrate-buffer; 60/40;v lv, only in a mobile phase composed by methanol/0 1 M citrate-bufer, 70130; vlv The second peak was rlie mean peak and had a percentage of 93.33% in peak area.
The calibration curve was calculated wilh the seven references.
The single determinations did not give any significant variation in calculated log K,values from determination to determination. The confidence limits indicate that the
determined log K., values were within the limits of the method for the impurity assigned . The log Koc value of the major compound of the test substance was out of the limits ofthe method and estimated to be >5.0. - Validity criteria fulfilled:
- yes
- Conclusions:
- The log Koc value of ANOX BF is above 5.0. Only log Koc value for the impurity, represented by peak I could be determined to be 3.12 by this method.
- Executive summary:
The aim of this study was the determination of the adsorption-coefficient of ANOX BF on soil (Koc). The test was performed following the proposal "Screening Method for the Determination of the Adsorption-Coefficient on Soil"
The log Koc was above 5.0 for the test substance ABOX BF at a temperature of 20˚C , determined by the HPLC screening method in a mobile phase composed by methanol 0.1M citrate-buffer, 60/40; v/v with Hypersl CPS as stationary phase.
Reference
Determination of Dead Time t0
The dead time of the chromatographic system was determined by injection of 10 uL
Thiourea. The solution had a concentration of 1/1000 of a saturated solution prepared by dissolving thiourea in the mobile phase of the chromatographic system.
The retention times were as follows.
Dead time of chromatographic system
Repetition |
1 |
2 |
3 |
4 |
Thiourea |
2.19 |
2.19 |
2.19 |
2.19 |
Mean |
2.19 |
|||
Standard deviation |
0.0 |
The mean value was taken for the calculation of calibration curves
Retention Times of Reference Substances
The retention times were determined by injection of four different solutions. The solutions were composed as follows:
Composition of reference solutions
Mix |
References |
GAB-Code |
Injection volume (µl) |
Concentration (mg/L) |
Amount injected (ng) |
1 |
Triadimenol |
97162 |
10 |
36.13 |
361.3 |
Fenthion |
97161 |
10 |
57.73 |
577.3 |
|
Sulprofos |
97075 |
10 |
89.20 |
892.0 |
|
2 |
Azinphosmethyl |
97163 |
10 |
11.02 |
110.2 |
Trifluralin |
96103 |
10 |
35.35 |
353.5 |
|
3 |
Linuron |
96087 |
10 |
27.76 |
277.6 |
4 |
Fenamiphos |
97164 |
10 |
53.00 |
560.0 |
The amount injected was calculated after pre-test to get peak heights nor differing more than a factor of two from each other.
The retention times of all references substances were analysed four times. The following table gives the results of the individual determinations which are taken for the calculation of the regression analysis of the calibration graphs.
Retention times of the reference substances
Names |
GAB-Code |
Log Koc |
RT (min) |
RT |
K1 |
|
Mean |
Standard deviation |
|||||
Triadimenol |
97162 |
2.40 |
3.19 |
3.19 |
0 |
0.46 |
2.40 |
3.19 |
0.46 |
||||
2.40 |
3.19 |
0.46 |
||||
2.40 |
3.19 |
0.46 |
||||
Fenthion |
97161 |
3.31 |
4.62 |
4.63 |
0.01 |
1.11 |
3.31 |
4.63 |
1.11 |
||||
3.31 |
4.62 |
1.11 |
||||
3.31 |
4.63 |
1.11 |
||||
Sulprofos |
97075 |
4.46 |
6.97 |
6.98 |
0.02 |
2.18 |
4.46 |
6.97 |
2.18 |
||||
4.46 |
6.96 |
2.18 |
||||
4.46 |
7.00 |
2.20 |
||||
Azinphosmethyl |
97163 |
2.94 |
3.77 |
3.76 |
0.01 |
0.72 |
2.94 |
3.76 |
0.72 |
||||
2.94 |
3.76 |
0.72 |
||||
2.94 |
3.76 |
0.72 |
||||
Trifluralin |
96103 |
3.94 |
6.16 |
6.14 |
0.01 |
1.81 |
3.94 |
6.14 |
1.80 |
||||
3.94 |
6.13 |
1.80 |
||||
3.94 |
6.13 |
1.80 |
||||
Linuron |
96087 |
2.59 |
3.48 |
3.48 |
0 |
0.59 |
2.59 |
3.48 |
0.59 |
||||
2.59 |
3.48 |
0.59 |
||||
2.59 |
3.48 |
0.59 |
||||
Fenamiphos |
97164 |
2.44 |
3.21 |
3.21 |
0 |
0.47 |
2.44 |
3.21 |
0.47 |
||||
2.44 |
3.21 |
0.47 |
||||
2.44 |
3.21 |
0.47 |
The retention times of the references did only show minor differences from run to run.
Retention time of ANOX BF
The concentration of the ANOX BF solution injected for the determination of retention times was 2440 mg/L. This was 84800 ng injected in 20µl.
Retention time of ANOX BF
Name |
GAB-CODE |
RT (min) |
RT Mean |
Standard Deviation |
K1 |
ANOX BF |
97151 |
4.41 |
4.43 |
0.01 |
1.01 |
|
|
4.42 |
|
|
1.02 |
|
|
4.43 |
|
|
1.02 |
|
|
4.44 |
|
|
1.03 |
Also the retention times of the first peak of the test substance showed minor differences. The second peak was not detectable in a mobile phase composed by methanol/0.1 M citrate-buffer; 60/40; v/v, only in a mobile phase composed by methanol/0.1 citrate-buffer, 70/30; v/v. The second peak was the mean peak and had a percentage of 93.33% in peak area.
Calculation of Calibration Curve
The calibration curve was calculated with the seven references. The following table represents the calibration calculations using the curve parameters
K1 values determined against log Koc values of literature
Name |
GAB-Code |
Log Koc Literature |
K1 determined |
Log Koc Calculated |
Confidence limits +/- |
Triadimenol |
97162 |
2.40 |
0.46 |
2.47 |
0.19 |
2.40 |
0.46 |
2.47 |
0.19 |
||
2.40 |
0.46 |
2.47 |
0.19 |
||
2.40 |
0.46 |
2.47 |
0.19 |
||
Fenthion |
97161 |
3.31 |
1.11 |
2.23 |
0.19 |
3.31 |
1.11 |
2.23 |
0.19 |
||
3.31 |
1.11 |
2.23 |
0.19 |
||
3.31 |
1.11 |
2.23 |
0.19 |
||
Sulprofos |
97075 |
4.46 |
2.18 |
4.47 |
0.19 |
4.46 |
2.18 |
4.47 |
0.19 |
||
4.46 |
2.18 |
4.47 |
0.19 |
||
4.46 |
2.20 |
4.49 |
0.19 |
||
Azinphosmethyl |
97163 |
2.94 |
0.72 |
2.77 |
0.19 |
2.94 |
0.72 |
2.77 |
0.19 |
||
2.94 |
0.72 |
2.77 |
0.19 |
||
2.94 |
0.72 |
2.77 |
0.19 |
||
Trifluralin |
96103 |
3.94 |
1.81 |
4.04 |
0.19 |
3.94 |
1.80 |
4.03 |
0.19 |
||
3.94 |
1.80 |
4.03 |
0.19 |
||
3.94 |
1.80 |
4.03 |
0.19 |
||
Linuron |
96087 |
2.59 |
0.59 |
2.62 |
0.19 |
2.59 |
0.59 |
2.62 |
0.19 |
||
2.59 |
0.59 |
2.62 |
0.19 |
||
2.59 |
0.59 |
2.62 |
0.19 |
||
Fenamiphos |
97164 |
2.44 |
0.47 |
2.48 |
0.19 |
2.44 |
0.47 |
2.48 |
0.19 |
||
2.44 |
0.47 |
2.48 |
0.19 |
||
2.44 |
0.47 |
2.48 |
0.19 |
Calculation of the Adsorption/Desorption Coefficient of ANOX BF
The parameters of calibration curve were taken for the calculation of log Koc value ANOX BF I
log Koc value calculated from calibration curve
Name |
GAB-Code |
K1 determined |
Log Koc Calculated |
Confidence limits +/- |
ANOX BF I |
97151 |
1.01 |
3.11 |
0.19 |
|
|
1.02 |
3.12 |
0.19 |
|
|
1.02 |
3.12 |
0.19 |
|
|
1.03 |
3.13 |
0.19 |
The single determinations did not give any significant variation in calculated log koc values from determination to determination. The confidence limits indicate that the determined log Koc values were within the limits of the method for the impurity assigned as ANOX BF I. The log Koc value of major compound of the test substance was out of the limits of the method and estimated to be > 5 0.
Description of key information
The log Koc was above 5.0 for the test substance ANOX BF at a temperature of 20˚C , determined by the HPLC screening method in a mobile phase composed by methanol 0.1M citrate-buffer, 60/40; v/v with Hypersl CPS as stationary phase. Koc is set at > 100,000
Key value for chemical safety assessment
- Koc at 20 °C:
- 100 000
Additional information
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