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EC number: 603-923-2 | CAS number: 135590-91-9
- 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 air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- SRC AOPWIN (v 1.91)
- GLP compliance:
- no
- Estimation method (if used):
- PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 1.5 × 10+6
- Degradation rate constant: 5.4535 × 10-12
- Computer programme: SRC AOPWIN 1.91
- Other: calculated for 12 h- day - DT50:
- 1.96 d
- Test condition:
- 12h day
- DT50:
- 23.5 h
- Test condition:
- 12 h day
- Endpoint:
- phototransformation in air
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Following the Atkinson approach, the photochemical half-life of mefenpyr-diethyl in air was estimated by calculation with the software Atmospheric Oxidation Program (AOPWIN). The updated version 1.88 was used with updated values for fragments and reactions
- GLP compliance:
- no
- Estimation method (if used):
- PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5E+06 radicals/cm³ (EU), 1.5E+06 radicals/cm² (USA)
- Degradation rate constant: 5.4535E-12
- Temperature for which rate constant was calculated: not given
- Computer programme: Following the Atkinson approach, the photochemical half-life of mefenpyr-diethyl in air was estimated by calculation with the software Atmospheric Oxidation Program (AOPWIN). The updated version 1.88 was used with updated values for fragments and reactions - DT50:
- 70.6 h
- Test condition:
- time frame: 24 h/d, OH concentration: 0.5E+06 radicals/cm³
- Remarks on result:
- other: EU
- DT50:
- 23.5 h
- Test condition:
- time frame: 12 h/d, OH concentration: 1.5E+06 radicals/cm³
- Remarks on result:
- other: USA
Referenceopen allclose all
SMILES : c2cc(CL)cc(CL)c2N1N=C(C(=O)OCC)CC1(C)C(=O)OCC
CHEM :
MOL FOR: C16 H18 CL2 N2 O4
MOL WT : 373.24
------------------- SUMMARY (AOP v1.91): HYDROXYL RADICALS -------------------
Hydrogen Abstraction = 4.3950 E-12 cm3/molecule-sec
Reaction with N, S and -OH = 0.0000 E-12 cm3/molecule-sec
Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec
**Addition to Aromatic Rings = 1.0585 E-12 cm3/molecule-sec
Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec
OVERALL OH Rate Constant = 5.4535 E-12 cm3/molecule-sec
HALF-LIFE = 1.961 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 23.536 Hrs
........................ ** Designates Estimation(s) Using ASSUMED Value(s)
------------------- SUMMARY (AOP v1.91): OZONE REACTION ----------------------
****** NO OZONE REACTION ESTIMATION ******
(ONLY Olefins and Acetylenes are Estimated)
Experimental Database: NO Structure Matches
Findings:
For a given concentration and an overall rate constant for the hydroxyl radicals the photolytic half life of AE F107892 in the atmosphere was calculated.
Results of calculations according to the Atkinson approach for mefenpyr-diethyl using AOPWIN:
Scenario used |
EU |
USA |
OH concentration |
0.5 |
1.5 |
Time frame [hours/day] |
24 |
12 |
OH rate constant |
5.4535 x 10-12 |
|
Half life [hours] |
70.6 |
23.5 |
Half life [days] |
2.9 |
2.0 |
Conclusion:
The parent compound is rapidly degraded in air. In view of its low vapour pressure (6.3 x 10-6Pa at 20°C) and by taking into account the rapid elimination observed in environmental fate tests there is no potential for a volatilisation and a long range transport in the atmosphere.
Description of key information
A half-life of 1.96 days was estimated for the substance.
Key value for chemical safety assessment
- Half-life in air:
- 23.5 h
Additional information
The photochemical half-life of the substance in air was estimated by calculation following the Atkinson approach with the software Atmospheric Oxidation Program (AOPWIN, version 1.91; 2010). The photolytic transformation process was calculated for a 12 h day and a concentration of 1.5E+06 OH radicals. The degradation rate constant was 5.454E-12 cm³/molecule*s. A half-life of 1.96 days was estimated for the substance (23.5 h). Therefore, a rapid degradation of the substance by photolytically induced processes is assumed.
The results are supported by a second calculation using the AOPWIN program (version 1.88; 1999). A half-life of 23.5 h was calculated for a OH radicals concentration of 1.5E+06 radicals/cm³ and a time frame of 12 h/day. The calculated half-life for a concentration of 0.5E+06 OH radicals/cm³ and a 24 hour day was 70.6 hours.
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