Fatty acids, C8-10, C12-18-alkyl esters

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 (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Justification for type of information:

More information about the valididty of the QSAR calculation is given under "Any other information on materials and methods"

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: 34.5005 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92

DT50:

11.161 h

Test condition:

calculation based on a 24 h day

For detailed describtion 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.

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 (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6More information about the valididty of the QSAR calculation is given under "Any other information on materials and methods"

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: 26.0222 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92

DT50:

14.797 h

Test condition:

calculation based on a 24 h day

For detailed describtion 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.

Reference 3

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 (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Justification for type of information:

More information about the valididty of the QSAR calculation is given under "Any other information on materials and methods"

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: 23.1961 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92

DT50:

16.6 h

Test condition:

calculation based on a 24 h day

For detailed describtion 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.

Reference 4

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 (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Justification for type of information:

More information about the valididty of the QSAR calculation is given under "Any other information on materials and methods"

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: 31.6744 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92

DT50:

12.157 h

Test condition:

calculation based on a 24 h day

For detailed describtion 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

Phototransformation in air is not relevant due to low vapour pressure (≤ 0.000145 Pa).

Additional information

No experimental studies investigating the phototransformation in air of fatty acids, C8-10, C12-18-alky esters (CAS 95912-86-0) are available. Because the substance is a composition of different homologues, the phototransformation in air was calculated for representative components using AOPWIN v1.92 (Müller, 2011). The results indicate that the components of the test substance are susceptible to indirect photodegradation in air. The estimated half-life for the reaction with OH-radicals is 11.16 h - 16.60 h (24 h day; OH-concentration: 0.5E+06 OH/cm³). However, this is not expected to be a relevant environmental fate process, since the components of fatty acids, C8-10, C12-18-alky esters are not expected to be present in the atmosphere based on the low estimated vapour pressure under ambient conditions (≤ 0.000145 Pa at 20 °C). As this study is not a standard information requirement in REACh and there is no indication from the Chemical Safety Assessment (CSA) on the need to investigate further the fate and behaviour of the substance (Annex X requirement), no further testing is considered necessary for fatty acids, C8-10, C12-18-alky esters.