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EC number: 603-520-1 | CAS number: 131807-57-3
- 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:
- supporting study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Study type:
- direct photolysis
- Qualifier:
- according to guideline
- Guideline:
- EPA Guideline Subdivision N 161-2 (Photodegradation Studies in Water)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: USA: 40 CFR 158.290. Environmental Fate Data Requirements. Degradation Studies-lab. Photochemical degradation
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: European Union Commission Directive 94/37 EC amending Council Directive 91/414/EEC. Physical and Chemical Properties of the Active Substance. Points 2.9.2, 2.9.3 Photochemical degradation, Quantum yield
- GLP compliance:
- yes
- Specific details on test material used for the study:
- Substance name: [14C-Phenoxyphenyl]DPX-JE874; [14C-POP]DPX-JE874
Lot #: 2675-268
Specific activity: 64.61 µCi/mg
Radiochemical purity: >96%
Substance name: [14C-Phenylamino]DPX-JE874; [14C-PA]DPX-JE874
Lot #: 2868-107; 3048-238
Specific activity: 52.51 µCi/mg; 58.53µCi/mg
Radiochemical purity: 95%; 98.7%
Substance name: IN-JE874-92
Purity: 99.6% - Radiolabelling:
- yes
- Analytical method:
- gas chromatography
- high-performance liquid chromatography
- mass spectrometry
- Buffers:
- A total of 148 mL of 0.02 M acetic add plus 352 mL of 0.02 M sodium acetate was transferred to a 1000-mL volumetric flask and diluted with deionized water to produce a 0.01 M pH 5.0 acetate buffer solution.
- Light source:
- Xenon lamp
- Light spectrum: wavelength in nm:
- 285 - 385
- Duration:
- 7 d
- Temp.:
- 25 °C
- Initial conc. measured:
- 25 other: µg/L
- Dark controls:
- yes
- Parameter:
- other: Molar absorptivity
- Value:
- 45 other: Per M/cm
- Remarks:
- at 291 nm
- Parameter:
- other: Molar absorptivity
- Value:
- 127 other: Per M/cm
- Remarks:
- at 290 nm
- Quantum yield (for direct photolysis):
- 0.975
- DT50:
- 5 h
- Test condition:
- Darkness
- Remarks on result:
- other: The rapid rate of degradation was primarily due to hydrolysis because of the higher pH (7.75).
- DT50:
- 3.9 h
- Test condition:
- In irradiated, non-sterile natural water
- Remarks on result:
- other: The rapid rate of degradation was primarily due to hydrolysis because of the higher pH (7.75).
- Key result
- DT50:
- 1.91 d
- Test condition:
- pH 5 under simulated sunlight
- Remarks on result:
- other: A conversion factor of 2.4 was used to obtain the half-life in natural sunlight equivalents, which was determined to be 4.6 days
- Transformation products:
- yes
- Remarks:
- IN-H3310, IN-JS940, IN-KF015, phenol, and IN-JL856
- Validity criteria fulfilled:
- yes
- Conclusions:
- Photolysis plays a major role in the degradation of the test substance in pH 5 buffer solution. However, photolysis of the test substance will likely be of little environmental importance due to the physical/chemical properties of the molecule (i.e. low water solubility, high sorption, hydrolytic instability, and low UV absorbance).
- Executive summary:
The photolysis of the test substance was studied in aqueous, buffered solution at pH 5, the most hydrolytically stable pH. The study was conducted using test substance labeled separately with carbon-14 in the phenoxyphenyl ring and in the phenylamino ring. The rate of application was a nominal 25 µg/L (water solubility 52 µg/L). Test solutions were incubated under sterile conditions for up to 7 days in simulated sunlight at 25 ± 2°C. Dark controls for this study were run concurrently. An abbreviated experiment was also conducted in natural water (pH 7.75) under non-sterile conditions, both in the light and in darkness.
At pH 5, the test substance was degraded with a half-life of 4.6 days (r2 = 0.97) (dark control 41 days, r2 = 0.91) in actual natural sunlight equivalents. In irradiated, non-sterile natural water (pH 7.75), the test substance was rapidly degraded with a half-life of 3.9 hours (dark control 5.0 hours).
The quantum yield of the test substance was determined to be 0.975.
Several products were identified from the photolysis solutions using GC/MS and co-chromatography. Identified products included IN-Н3310, IN-JS940, IN-KF015, phenol, and IN-JL856. Polar, organic acids were tentatively identified, based on HPLC retention times. CO2 was trapped in 1 N NaOH and confirmed by precipitation as barium carbonate.
The major photolytic pathways yielded IN-Н3310, IN-JS940, and IN-KF015 from the phenoxphenyl portion of the test substance. Stable products from the phenylamino portion of the molecule were phenol, polar adds (fumaric, oxalic, and formic), and carbon dioxide.
Degradation rate data were obtained for IN-JL856, IN-KF015, IN-JS940, and IN-H3310. Only IN-H3310 and IN-KF015 were stable under photolytic conditions. IN-JS940 and IN-JL856 degrade to give IN-H3310.
Photolysis plays a major role in the degradation of the test substance in pH 5 buffer solution. However, photolysis of the test substance will likely be of little environmental importance due to the physical/chemical properties of the molecule (i.e., low water solubility, high sorption, hydrolytic instability, and low UV absorbance).
Reference
Description of key information
Study Type | Study Details | Value | Guideline | Reliability |
Phototransformation in water | pH 5 under simulated sunlight; irradiated, non-sterile natural water (pH 7.75) | DT50 at pH 5= 1.91 days; DT50 in natural water = 3.9 hours | EPA 161-2 | 1 |
Key value for chemical safety assessment
- Half-life in water:
- 3.9 h
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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