Registration Dossier
Registration Dossier
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EC number: 202-858-3 | CAS number: 100-50-5
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- 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
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- Calculated with AOP Program v1.92 of EPI-Suite Software. The Atmospheric Oxidation Program (AOPWIN) estimates the rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals. The rate constants are then used to calculate atmospheric half-lives for organic compounds based upon average atmospheric concentrations of hydroxyl radicals and ozone.
- GLP compliance:
- no
- Estimation method (if used):
- PHOTOCHEMICAL REACTION WITH OH RADICALS
- sensitiser for indirect photolysis: OH radicals
- Concentration of OH radicals: 0.5 E6 OH/cm³, 24 h/d - Key result
- % Degr.:
- 50
- Key result
- DT50:
- 4.3 h
- Test condition:
- at 25 °C
- Conclusions:
- The photodegradation of cyclohex-3-ene-1-carbaldehyde was calculated at t ½ = 4.3 hours at 25 °C and rate constant = 89E-12 cm3/(molecule*sec) by AOPWIN v. 1.92.
- Executive summary:
The photodegradation of cyclohex-3-ene-1-carbaldehyde was calculated at t ½ = 4.3 hours at 25 °C and rate constant = 89E-12 cm3/(molecule*sec) by AOPWIN v. 1.92.
Reference
A 24-hour day and an OH radical concentration of 0.5*106 OH/cm³ are assumed for the calculation.
Rate constant = 89*10 -12 cm3/(molecule*sec)
Description of key information
The photodegradation of cyclohex-3-ene-1-carbaldehyde was calculated at t ½ = 4.3 hours at 25 °C and rate constant = 89E-12 cm3/(molecule*sec) by AOPWIN v. 1.92.
Key value for chemical safety assessment
- Half-life in air:
- 4.3 h
- Degradation rate constant with OH radicals:
- 0 cm³ molecule-1 s-1
Additional information
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