Registration Dossier
Registration Dossier
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EC number: 242-362-4 | CAS number: 18479-58-8
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Estimation based on structure and phys-chem property inputs, using a well-validated QSAR model
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- QSAR calculation based on chemical structure plus input of experimentally determined values for Log Kow, BP, VP and water solubility
- Estimation method (if used):
- AOP v1.92 module within EPISuite v4.0
- Reaction with:
- OH radicals
- Rate constant:
- cm³ molecule-1 s-1
- Reaction with:
- ozone
- Rate constant:
- cm³ molecule-1 s-1
- Conclusions:
- Removal from the atmosphere by reaction in sunlight is predicted to be rapid:
- reaction with atmospheric OH radicals: rate constant 37.2817 E-12 cc/molecule-sec, half-life 3.449 hours
- reaction with atmospheric ozone: rate constant 1.2 E-17 cc/molecule-sec, half-life 22.92 hours.
Reference
Reaction with atmospheric OH radicals: rate constant 37.2817 E-12 cc/molecule-sec, half-life 3.449 hours.
Reaction with atmospheric ozone: rate constant 1.2 E-17 cc/molecule-sec, half-life 22.92 hours.
Description of key information
Removal from the atmosphere by reaction in sunlight is predicted to be rapid:
- reaction with atmospheric OH radicals: rate constant 37.2817 E-12 cc/molecule-sec, half-life 3.449 hours
- reaction with atmospheric ozone: rate constant 1.2 E-17 cc/molecule-sec, half-life 22.92 hours.
Key value for chemical safety assessment
- Half-life in air:
- 3.449 h
Additional information
Phototransformation rates and half-lives have been estimated using QSAR (EPISuite v 4.0).
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
