Fatty acids, C12-14 (even numbered), methyl ester

Phototransformation in air

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

phototransformation in air

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

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

Remarks:

Calculation for main component of Fatty acids, C12-14 (even numbered), methyl esters

Justification for type of information:

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

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: 13.1942 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92

Key result

DT50:

29.2 h

Test condition:

calculation based on a 24 h day

The estimation is based on a 24 hour day.

Reference 2

Endpoint:

phototransformation in air

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

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

Remarks:

Calculation for main component of Fatty acids, C12-14 (even numbered), methyl esters

Justification for type of information:

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

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: 16.0203 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92

Key result

DT50:

24 h

Test condition:

calculation based on a 24 h day

The estimation is based on a 24 hour day.

Description of key information

Not relevant due to low vapour pressure

Additional information

No experimental data evaluating the potential for photodegradation of Fatty acids, C12-14 (even numbered), methyl esters (CAS No. 308065-15-8) in air are available. Since the substance is a complex UVCB substance, QSAR calculations using the AOPWIN v1.92 program have been performed on representative fatty acid components, resulting in estimated half-lives (DT50 values) ranging from 24-29 hours (C14 and C12 components respectively; reaction with OH radicals, 24h-day (López Parrón, 2011)).These values indicate that the substance is susceptible to undergo indirect photodegradation in air. Nevertheless, based on its low estimated vapour pressure value (< 0.55 Pa) this substance is not expected to be present in significant amounts in the atmosphere. Therefore, photodegradation in air is not a relevant environmental fate process for Fatty acids, C12-14 (even numbered), methyl esters. As this study is not a standard information requirement according to Regulation (EC) No. 1907/2006 and there is no indication from the CSA according to Annex I on the need to investigate further the fate and behavior of the substance (Annex X requirement), no testing is considered necessary.