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EC number: 204-424-9 | CAS number: 120-78-5
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Estimated by calculation
- 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:
- 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 - % Degr.:
- 50
- Sampling time:
- 1.22 h
- Test condition:
- calculation
- Conclusions:
- In the atmosphere a half-life of 1.22 hours for MBTS due to reaction with photochemically produced hydroxyl radicals is estimated by AOPWIN v1.92 with a rate constant of 3.15 *10-10cm3/(molecule*sec).
- Executive summary:
In the atmosphere a half-life of 1.22 hours for MBTS due to reaction with photochemically produced hydroxyl radicals is estimated by AOPWIN v1.92 with a rate constant of 3.15 *10-10cm3/(molecule*sec), considering an OH-concentration of 500,000 radicals/cm³ as a 24-h average (Currenta, 2010). The estimated half-life in air of MBTS is much shorter than 48 hours and hence no potential for long-range transport of MBTS in air is expected.
Reference
rate constant of 3.15 *10-10cm3/(molecule*sec)
Description of key information
In the atmosphere a half-life of 1.221 hours for MBTS due to reaction with photochemically produced hydroxyl radicals is estimated by AOPWIN v1.92 with a rate constant of 3.15 *10-10 cm3/(molecule*sec), considering an OH-concentration of 500,000 radicals/cm³ as a 24-h average (Currenta, 2010). The estimated half-life in air of MBTS is much shorter than 48 hours and hence no potential for long-range transport of MBTS in air is expected.
Key value for chemical safety assessment
- Half-life in air:
- 1.221 h
- Degradation rate constant with OH radicals:
- 0 cm³ molecule-1 s-1
Additional information
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