Registration Dossier
Registration Dossier
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EC number: 228-055-8 | CAS number: 6104-30-9
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- calculated using AOP (v1.87)
- GLP compliance:
- no
- Estimation method (if used):
- PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 500000 molecule/cm³
- Degradation rate constant: 0.0000000000468328 cm³/(molecule*sec)
- Computer programme: AOP v1.87 - Key result
- DT50:
- 8.2 h
- Test condition:
- calculation based on a 24 h day
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- 1. SOFTWARE
EPI Suite v4.11 Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA. - Estimation method (if used):
- PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 500000
- Degradation rate constant: 0.0000000000463 cm³/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: SRC AOP v1.92 29 Nov 2007
- Calculated t 1/2 is based on a 24 h day - DT50:
- 8.22 h
- Test condition:
- calculation based on a 24 h day
Referenceopen allclose all
Description of key information
After evaporation or exposure to the air, the product will be rapidly degraded by photochemical processes.
Key value for chemical safety assessment
Additional information
The assessment of photodegradation using SRC AOP v1.87 and 1.92 revealed a half life of 8 hours for IBDU (rate constant 0.0000000000468328 cm³/molecule-sec). For this calculation a 24 -hour day and a sensitizer-concentration (OH-radicals) of 500,000 molecules/cm³ was assumed.
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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