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Environmental fate & pathways

Phototransformation in air

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Reference
Endpoint:
phototransformation in air
Type of information:
(Q)SAR
Adequacy of study:
supporting 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
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.

2. MODEL (incl. version number)
AOPWIN v1.92, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See test material information

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached information on the model provided by the developer. Further information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables"

5. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on results incl. tables".

6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section.
GLP compliance:
no
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5E+06 radicals/cm³
- Degradation rate constant:
Constituent C18-C18: 70.4758 E-12 cm3/molecule-sec
Constituent C18-C16: 67.6497 E-12 cm3/molecule-sec
Constituent C16-C16: 64.8236 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92
DT50:
0.076 d
Test condition:
Based on 24-h day
Remarks on result:
other: Constituent C18-C18
DT50:
0.079 d
Test condition:
Based on 24-h day
Remarks on result:
other: Constituent C18-C16
DT50:
0.083 d
Test condition:
Based on 24-h day
Remarks on result:
other: Constituent
Remarks:
C16-C16

For detailed information on the results please refer to the attached report.

Description of key information

DT50: 0.076 - 0.083 days (based on 24 -h day)

Key value for chemical safety assessment

Additional information

Experimental data on the phototransformation of the substance are not available. The photolytic half-life of the main substance components was calculated using AOPWIN v1.92. The estimated half-lives ranged from 0.076 - 0.083 days (based on 24-h day) for the reaction of the main constituents with hydroxyl radicals (0.5x10E+06 OH/cm3) in air.

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