Registration Dossier
Registration Dossier
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EC number: 226-641-8 | CAS number: 5444-75-7
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: Validated QSAR model
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- Calculation based on AOPWIN v1.92, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Estimation method (if used):
- PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5E+06 radicals/cm3
- Degradation rate constant: 11.5368 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92 - DT50:
- 33.376 h
- Test condition:
- calculation based on a 24 h day
Reference
For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables". The estimation is based on a 24 hour day.
Description of key information
DT50 = 33.4 h (24h day, OH-concentration: 0.5E+06 OH/cm3, AOPWIN v1.92)
Key value for chemical safety assessment
- Half-life in air:
- 33.4 h
Additional information
Based on a QSAR calculation for 2-ethylhexyl benzoate (CAS No. 5444-75-7) using AOPWIN v1.92, the substance is susceptible to indirect photodegradation in air. The estimated half time for the reaction with OH-radicals is 33.4 hours (24h day; OH-concentration: 0.5E+06 OH/cm3). The substance is expected to evaporate slowly into the atmosphere (HLC = 25.6 Pa*m3/mol at 25 °C; HENRYWIN v3.20).
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