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EC number: 936-023-6 | CAS number: 950782-86-2
- 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
Phototransformation in water
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in water
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP Guideline study
- Study type:
- direct photolysis
- Qualifier:
- according to guideline
- Guideline:
- EPA Guideline Subdivision N 161-2 (Photodegradation Studies in Water)
- Qualifier:
- according to guideline
- Guideline:
- other: EC-guidelines 94/37/EC and 95/36/EC
- Qualifier:
- according to guideline
- Guideline:
- other: Environmental Chemistry and Fate, Guidelines for Registration of Pesticides in Canada, PMRA, DACO No. 8.2.3.3.2, 1987
- Principles of method if other than guideline:
- This study was performed in compliance with the GLP standards followed by US EPA FIFRA 40 CFR Part 160, German Chemical Law Principles of Good Laboratory Practice, and Japan MAFF 11 Nousan Number 6283.
- GLP compliance:
- yes (incl. QA statement)
- Radiolabelling:
- yes
- Analytical method:
- high-performance liquid chromatography
- other: TLC
- Light source:
- Xenon lamp
- Light spectrum: wavelength in nm:
- 300 - 800
- Relative light intensity:
- 569
- Details on light source:
- - Emission wavelength spectrum: 300-800 nm
- Filters used and their purpose: <290 nm cut-off UV-filter
- Relative light intensity based on intensity of sunlight: Relationship to natural sunlight 8.8 h/4.3 h suntest light is equivalent to 1 day unter extreme
conditions in June at Phoenix, AZ, USA and Athens, Greece, respectively
- Duration of light/darkness: Continuous exposure, 3 days - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test apparatus/vessels: Static system; 50 mm x 26 mm x 16 mm quartz glass vessels fitted with traps.
- Sterilisation method: Autoclave
- Details of traps for volatile, if any: Static volatile trap attachment for CO2 (soda lime) and organic volatiles (polyurethane foam), permeable for oxygen.
TEST MEDIUM
- Volume used/treatment: 10 mL/treatment
- Preparation of test medium: Sterile aqueous 0.01 M phosphate buffer adjusted to pH 7
- Identity and concentration of co-solvent: Acetonitrile
- Concentration of solubilising agent: ≤ 0.2%
REPLICATION
- No. of replicates (dark): 2
- No. of replicates (irradiated): 2 - Duration:
- 72 h
- Temp.:
- 25 °C
- Initial conc. measured:
- 1 mg/L
- Reference substance:
- yes
- Dark controls:
- yes
- DT50:
- 1.3 - 1.4 d
- Predicted environmental photolytic half-life:
- The experimental DT50 of AE 1170437 for label A and label B were 1.3 and 1.4 days, respectively. The predicted environmental DT50 of AE 1170437 were 3.6 and 3.8 solar summer days for Phoenix, AZ, USA and 5.6 and 5.9 solar summer days for Athens, Greece, respectively. The experimental DT50 of the transformation compounds AE 1170437-olefine and AE 1170437-1-hydroxyethyl in the irradiated samples were > 42 days and 11 days, respectively.
- Transformation products:
- yes
- No.:
- #1
- No.:
- #2
- Endpoint:
- phototransformation in water
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP Guideline study
- Study type:
- direct photolysis
- Qualifier:
- according to guideline
- Guideline:
- other: Phototransformation of Chemicals in Water, Part A: Direct Phototransformation, UBA, Berlin, Germany (1992); Test Method: ECETOC (Polychromatic Light Source)
- GLP compliance:
- yes (incl. QA statement)
- Radiolabelling:
- no
- Analytical method:
- high-performance liquid chromatography
- Buffers:
- - pH: acetate pH 4, phosphate pH 7, and borate pH 9
- Composition of buffer:
1) Acetate buffer solution pH 4
0.04 mol/L acetate buffer stock solution pH 4:
1.36 g CH3COONa ∗ 3 H2O was dissolved in a volume of 250 mL with water. The pH of
that solution was measured with a pH electrode and then adjusted at RT to pH 4.0 using
acetic acid.
0.01 M acetate buffer solution pH 4:
The buffer stock solution was diluted to the desired 0.01 mol/L with purified water (1/3,
v/v).
2) Phosphate buffer solution pH 7
0.04 mol/L phosphate buffer stock solution pH 7:
1.36 g KH2PO4 was dissolved in a volume of 100 mL with water, 74 ml of NaOH (0.04
mol/L) were added and the volume was adjusted to 250 mL with water. The pH of that
solution was measured with a pH electrode and then adjusted at 20°C to pH 7.0 using
NaOH (0.04 mol/L).
0.01 M phosphate buffer solution pH 7:
The buffer stock solution was diluted to the desired 0.01 mol/L with purified water (1/3,
v/v).
3) Borate buffer solution pH 9:
0.02 mol/L borate buffer stock solution pH 9:
0.62 g boric acid (H3BO3) and 0.75 g KCl were dissolved in 250 mL of water. A portion
of 53 mL of a 0.04 mol/L sodium hydroxide solution was added to 125 mL of the before
mentioned solution, mixed and then diluted with water to a final volume of 250 mL. The
pH of that solution was measured with a pH electrode and then adjusted at 20°C to pH
9.0 using NaOH (0.04 mol/L).
0.01 M borate buffer solution pH 9:
The buffer stock solution was diluted to the desired 0.01 mol/L with purified water (1/1,
v/v). - Light source:
- other: artificial light
- Light spectrum: wavelength in nm:
- 300 - 490
- Duration:
- 300 min
- Temp.:
- 25 °C
- Reference substance:
- no
- Dark controls:
- yes
- Quantum yield (for direct photolysis):
- 0.479
- DT50:
- 15 - 43 d
- Endpoint:
- phototransformation in water
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP Guideline study
- Study type:
- direct photolysis
- Qualifier:
- according to guideline
- Guideline:
- EPA Guideline Subdivision N 161-2 (Photodegradation Studies in Water)
- Qualifier:
- according to guideline
- Guideline:
- other: Commission Directive 94/37/EC
- Qualifier:
- according to guideline
- Guideline:
- other: Commission Directive 95/36/EC
- Qualifier:
- according to guideline
- Guideline:
- other: Environmental Chemistry and Fate, Guidelines for Registration of Pesticides in Canada, PMRA, DACO No. 8.2.3.3.2, 1987
- Principles of method if other than guideline:
- This study was performed in compliance
with the GLP standards followed by US EPA FIFRA 40 CFR Part 160, German
Chemical Law Principles of Good Laboratory Practice, and Japan MAFF 11 Nousan
Number 6283. - GLP compliance:
- yes (incl. QA statement)
- Radiolabelling:
- yes
- Analytical method:
- high-performance liquid chromatography
- Details on sampling:
- see table under materials and methods
- Light source:
- Xenon lamp
- Light spectrum: wavelength in nm:
- < 290
- Relative light intensity:
- 300 - 800
- Details on light source:
- - Emission wavelength spectrum: 300-800 nm
- Filters used and their purpose: <290 nm cut-off UV-filter
- Light intensity at sample and area irradiated: 1044 W m-2
- Relative light intensity based on intensity of sunlight: 4.8 h suntest light is equivalent to 1 day under extreme conditions in June at Phoenix, AZ, USA and Athens, Greece, respectively. - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test apparatus/vessels: Static system; 50 mm x 26 mm x 16 mm quartz glass vessels fitted with traps.
- Sterilisation method: Filter sterilization
- Details of traps for volatile, if any: Static volatile trap attachment for CO2 (soda lime) and organic volatiles (polyurethane foam), permeable for oxygen.
- Indication of test material adsorbing to the walls of test apparatus: yes, Range: 0.5 – 7.8%, mean: 2.2%
TEST MEDIUM
- Volume used/treatment: 10 mL/treatment
- Source of natural water: Rhine River Water
- Preparation of test medium: according to guideline
- Identity and concentration of co-solvent: Acetonitrile
- Concentration of solubilising agent: ≤ 0.1% of total volume
REPLICATION
- No. of replicates (dark): 2
- No. of replicates (irradiated): 2 - Duration:
- 19.6 h
- Temp.:
- 25 °C
- Initial conc. measured:
- 1 mg/L
- Reference substance:
- yes
- Dark controls:
- yes
- DT50:
- 5.7 h
- Transformation products:
- yes
- No.:
- #1
- No.:
- #2
Referenceopen allclose all
Major Outcomes of the Study:
Based on the experimental DT50 of 1.3 and 1.4 days for AE 1170437 the predicted environmental DT50 is calculated to be 3.6 and 3.8 solar summer days at Phoenix, AZ, USA or 5.6 and 5.9 summer days at Athens, Greece for label A and label B, respectively. AE 1170437 was degraded in sterile aqueous 0.01 M phosphate buffer under photolytic conditions to the two main transformation products AE 1170437-olefine and AE 1170437-1-hydroxyethyl and to innumerable minor transformation products each < 5% of the AR. CO2 formation and organic volatile formation was negligible throughout the study (<1%).
From this study, it is evident that photodegradation of AE 1170437 in aqueous systems is a significant route for the elimination of this compound from the environment.
A degradation of AE1170437 in water of approximately 86 to 90% was measured by HPLC-UV during the maximum irradiation period of 300 minutes. In the corresponding dark sample no degradation was observed. This indicated that AE1170437 was not stable against direct phototransformation in aqueous solution. Using the UV absorption data and the degradation kinetics of both experiments a mean quantum yield of Φ = 0.4793 was calculated. The estimates based on Zepp & Cline and Frank & Kloepffer modelling were well comparable and considered the quantum yield and the absorption in a range of wavelengths relevant for the environment. Environmental half lives of about 15 to 43 days were assessed for the direct phototransformation of AE1170437 during the period of main use in spring to early summer. Thus, direct phototransformation in buffered water does contribute to the decomposition of AE1170437 in the environment. This assessment does not consider any indirect mechanisms, which may enhance the photodegradation in natural water.
With the arithmetic model developed by Zepp and Cline (1977) it is possible to transfer laboratory data concerning direct phototransformation in water to field conditions. Clouds are not considered, however. Therefore, the data obtained are to be viewed
more or less as minimal half-lives depending upon the frequency and degree of cloudiness. Using the quantum yield of Φ = 0.4793 and the molar extinction coefficients from 297.5 to 490 nm for calculation, "environmental half-lives" were obtained, e.g. for the mentioned marginal conditions.
Table 1: Computer Modelling according to Zepp and Cline (GC Solar)
Season |
Environmental DT50of the Direct Phototransformation of AE1170437 [days] |
|||
|
30thdegree lat. |
40thdegree lat. |
50thdegree lat. |
60thdegree lat. |
Spring |
10.9 |
19.4 |
42.7 |
107 |
Summer |
7.5 |
10 |
14.9 |
24.6 |
Fall |
17.7 |
39.8 |
137 |
755 |
Winter |
43.6 |
188 |
1520 |
15600 |
Table2 : Computer Modelling according to Frank and Kloepffer
Month |
Photolysis Constant [1/sec] |
Environmental DT50of the Direct Phototransformation of AE1170437 [days] Minimum Mean Maximum |
||
January |
0.168 x 10-8 |
2300 |
4800 |
22000 |
February |
0.966 x 10-8 |
400 |
830 |
3600 |
March |
0.500 x 10-7 |
84 |
160 |
670 |
April |
0.169 x 10-6 |
26 |
47 |
190 |
May |
0.316 x 10-6 |
16 |
25 |
100 |
June |
0.455 x 10-6 |
12 |
18 |
71 |
July |
0.457 x 10-6 |
12 |
18 |
58 |
August |
0.401 x 10-6 |
13 |
20 |
67 |
September |
0.163 x 10-6 |
29 |
49 |
180 |
October |
0.471 x 10-7 |
90 |
170 |
770 |
November |
0.522 x 10-8 |
670 |
1500 |
7700 |
December |
0.805 x 10-9 |
4500 |
10000 |
50000 |
In contrast to the modelling according to Zepp and Cline, the arithmetic model developed by Frank and Kloepffer (1985) takes the conditions of cloudiness in Central Europe into consideration and is more geared to the conditions in Germany. Using the quantum yield of Φ = 0.4793 and the molar extinction coefficients from 292.5 nm to 490 nm for calculation environmental half-lives were obtained, e.g. for the mentioned marginal conditions.
Zepp R.G. and Cline D.M.: Environ. Sci. Technol. 11, 359 (1977)
Frank R. and Kloepffer W.: UBA Research Report No. 10602046 (1985)
Description of key information
Photodegradation of the test substance in aqueous systems is a significant route for the elimination of this compound from the environment.
Key value for chemical safety assessment
Additional information
Three GLP guideline studies about photodegradation in artificial and natural water are available.
The aqueous phototransformation of the substance was studied at 25°C in sterile 0.01 M aqueous phosphate buffer solutions at pH 7 at an initial concentration of 1 mg/L by continuous exposure to a xenon lamp with <290 nm cut-off filter for three days. Based on the experimental DT50 of 1.3 and 1.4 days for the substance the predicted environmental DT50 is calculated to be 3.6 and 3.8 solar summer days at Phoenix, AZ, USA or 5.6 and 5.9 summer days at Athens, Greece for label A and label B, respectively. A second study investigated the phototransfomation at 25°C in sterile Rhine river water at a nominal concentration of 1 mg/L by continuous exposure to a xenon lamp with <290 nm cut-off filter for 19.6 hours, resulting in an experimental DT50 of 5.7 hours and the predicted environmental DT50 is calculated to be 2.5 environmental days at Tokyo, Japan or 1.2 environmental days at Phoenix, AZ, USA.
Thequantum yield of the direct phototransformation of the test substance was determined in water using polychromatic light according to the ECETOC method. A degradation of the substance in water of approximately 86 to 90% was measured by HPLC-UV during the maximum irradiation period of 300 minutes.
In the corresponding dark sample no degradation was observed. This indicated that the substance was not stable against direct phototransformation in aqueous solution. Using the UV absorption data and the degradation kinetics of both experiments a mean quantum yield ofΦ= 0.4793 was calculated.
It is evident that photodegradation of the substance in aqueous systems is a significant route for the elimination of this compound from the environment.
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