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Environmental fate & pathways

Phototransformation in air

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Link to relevant study record(s)

Reference
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:
1. SOFTWARE
EPI Suite v4.11 Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.

2. MODEL (incl. version number)
AOPWIN v1.92

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version: EPI Suite v4.11
- Model(s) used: AOPWIN v1.92
GLP compliance:
no
Estimation method (if used):
PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 0.5E+06 radicals/cm3
- Degradation rate constant: 73.9509 E-12 cm³/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92
Details on test conditions:
Input data:
Melting point: -47 °C
DT50:
5.207 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". The estimation is based on a 24 hour day.

Description of key information

Not relevant due to low vapour pressure.

Key value for chemical safety assessment

Additional information

No studies investigating the indirect photolysis of Bis(2-(2-butoxyethoxy)ethyl) adipate (CAS 141-17-3) are available. Using AOPWIN v1.92, a half-life of 5.21 hours was calculated, indicating rapid degradation by indirect photolysis. However, this is not expected to be a relevant environmental fate process, since the substance is not expected to be present in the atmosphere, based on the low estimated vapour pressure (< 0.0001 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, no further testing is considered necessary.

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