Registration Dossier
Registration Dossier
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EC number: 217-615-7 | CAS number: 1910-42-5
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2006
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Qualifier:
- no guideline followed
- GLP compliance:
- no
- Key result
- DT50:
- 6 h
- Test condition:
- Atmospheric half-life of the test material estimated by AOP v1.8 under average atmospheric conditions. Calculated with 12-hr day and 1.5E+06 OH/cm3
- Reaction with:
- OH radicals
- Rate constant:
- 0 cm³ molecule-1 s-1
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Atmospheric half-life of the test material estimated by AOP v1.8 under average atmospheric conditions: 6 hours. The rate constant used is 1.5E+06 OH/cm3.
- Executive summary:
The reaction of test material in the atmosphere with hydroxyl radicals has been estimated using the method of Atkinson as developed in the Atmospheric Oxidation Program. The Atmospheric Oxidation Program estimates the rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals. It also estimates the gas-phase reaction between ozone and olefinic/acetylinic compunds. The rate constants estimated by the program are used to calculate an atmospheric half-life for the organic compound based upon average atmospheric concentrations of hydroxyl radicals and ozone. In the case of an ionic compound, such as the test material, the closest estimate for the rate constants is made by assuming a covalent bond in place of the ionic bond when entering the molecular structure into the Atmospheric Oxidation Program. Atmospheric half-life of the test material estimated by AOP v1.8 under average atmospheric conditions: 6 hours.
Reference
The results of the calculation as performed by the program are showing Atmospheric half-life of the test item estimated by AOP v1.8 under average atmospheric conditions of 6 hours.
Description of key information
Estimated half life based on the QSAR used is 6 hours, AOP v1.8, Hayes 2006
Key value for chemical safety assessment
- Half-life in air:
- 6 h
- Degradation rate constant with OH radicals:
- 0 cm³ molecule-1 s-1
Additional information
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