Registration Dossier
Registration Dossier
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EC number: 207-997-3 | CAS number: 504-63-2
Phototransformation in air
Administrative data
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
- Principles of method if other than guideline:
- Estimated by AOPWIN v1.92. See supporting QPRF and QMRF documentation
- GLP compliance:
- no
Test material
- Reference substance name:
- Propane-1,3-diol
- EC Number:
- 207-997-3
- EC Name:
- Propane-1,3-diol
- Cas Number:
- 504-63-2
- Molecular formula:
- C3H8O2
- IUPAC Name:
- propane-1,3-diol
Constituent 1
Results and discussion
Dissipation half-life of parent compound
- DT50:
- 1.65 d
- Remarks on result:
- other: The test substance is expected to rapidly degrade in the atmosphere via reaction with photochemically produced OH radicals.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- Atmospheric DT50 is estimated to be 1.648 days.
- Executive summary:
An overall rate constant of 9.7348E-12 cm3/molecule-sec was predicted. The half life (t½ = 0.693/kOH[OH]) was determined to be 1.648 days based on the REACH guidance default i.e. an average hydroxyl radical concentration of 0.5E6 molecules (radicals)/cm3 per 24 hours.
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