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Phototransformation in air

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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
Principles of method if other than guideline:
Calculation based on AOPWIN v1.92a, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5 E+06 radicals/cm3
- Degradation rate constant: 20.5 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92a
Key result
DT50:
19 h
Test condition:
calculation based on a 24 h day

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables". Result refers to the uncharged molecule. The estimation is based on a 24h day.


 

Validity criteria fulfilled:
not applicable
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
Principles of method if other than guideline:
Calculation based on AOPWIN v1.92a, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5 E+06 radicals/cm3
- Degradation rate constant: 23.3 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92a
Key result
DT50:
17 h
Test condition:
calculation based on a 24 h day

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables". Result refers to the uncharged molecule. The estimation is based on a 24h day.


 

Validity criteria fulfilled:
not applicable
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
Principles of method if other than guideline:
Calculation based on AOPWIN v1.92a, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5E+06 radicals/cm3
- Degradation rate constant: 17.7E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92a
Key result
DT50:
22 h
Test condition:
calculation based on a 24 h day
Validity criteria fulfilled:
not applicable
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
Principles of method if other than guideline:
Calculation based on AOPWIN v1.92a, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5 E+06 radicals/cm3
- Degradation rate constant: 9.2 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92a
Key result
DT50:
42 h
Test condition:
calculation based on a 24 h day

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables". Result refers to the uncharged molecule. The estimation is based on a 24h day.


 

Validity criteria fulfilled:
not applicable
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
Principles of method if other than guideline:
Calculation based on AOPWIN v1.92a, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5 E+06 radicals/cm3
- Degradation rate constant: 12 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92a
Key result
DT50:
32 h
Test condition:
calculation based on a 24 h day

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables". Result refers to the uncharged molecule. The estimation is based on a 24h day.


 

Validity criteria fulfilled:
not applicable
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
Principles of method if other than guideline:
Calculation based on AOPWIN v1.92a, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5E+06 radicals/cm3
- Degradation rate constant: 14.8 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92a
Key result
DT50:
26 h
Test condition:
calculation based on a 24h day

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables". Result refers to the uncharged molecule. The estimation is based on a 24h day.


 

Validity criteria fulfilled:
not applicable
Endpoint:
phototransformation in air
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Justification for type of information:
Read across justification is attached in chapter 13.
Reason / purpose for cross-reference:
read-across source
Reason / purpose for cross-reference:
read-across source
Reason / purpose for cross-reference:
read-across source
Reason / purpose for cross-reference:
read-across source
Reason / purpose for cross-reference:
read-across source
Reason / purpose for cross-reference:
read-across source
Key result
DT50:
42 h
Remarks on result:
other: CAS 142-31-4 (C8)
Key result
DT50:
32 h
Remarks on result:
other: CAS 142-87-0 (C10)
Key result
DT50:
26 h
Remarks on result:
other: CAS 151-21-3 (C12)
Key result
DT50:
22 h
Remarks on result:
other: CAS 1191-50-0 (C14)
Key result
DT50:
19 h
Remarks on result:
other: CAS 1120-01-0 (C16)
Key result
DT50:
17 h
Remarks on result:
other: CAS 1120-04-3 (C18)

Description of key information

 DT50 between 22 hours and 42 hours (EPISuite calculation for constituents)

Key value for chemical safety assessment

Additional information

Since no information on photodegradation of C8-18AS Mg & TEA (CAS 85586-38-5) is available, in accordance to Regulation (EC) No. 1907/2006 Annex XI, 1.5 Grouping of substances, a read-across to to the constituents of the test substance was conducted. Read-across data from C8AS Na (CAS 142-31-4), C10AS Na (CAS 142-87-0), C12AS Na (CAS 151-21-3), C14AS Na (CAS 1191-50-0) C16AS Na (CAS 1120-01-0) and C18AS Na (CAS 1120-04-3) were used. The half-life time in the air was assessed based on the calculation method using EPI Suite v 4.11, AOPWIN v 1.92a.


The half-life time in the air is:


For C8AS Na: 42 hours


For C10AS Na: 32 hours


For C12AS Na: 26 hours


For C14AS Na: 22 hours


For C16AS Na: 19 hours


For C18 AS Na: 17 hours


Based on the above data it can be concluded that the half-life of C8-18AS Mg & TEA (CAS 856586-38-5) in the air is between 17 hours and 42 hours.