Registration Dossier

Environmental fate & pathways

Phototransformation in air

Currently viewing:

Administrative data

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:
other: Validated QSAR model
Justification for type of information:
Assessment was conducted using a valid QSAR model
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: 16.7471 E-12 cm3/molecule-sec- Temperature for which rate constant was calculated: 25 °C- Computer programme: AOPWIN v1.92
DT50:
22.99 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 24 hour day.

Validity criteria fulfilled:
yes
Conclusions:
Dissipation half-life of parent compound (DT50) was determined to be 22.99 h based on a 24 hour day.
Executive summary:

An assessment was conducted on 3-[(2-ethylhexanoyl)oxy]-2,2-dimethylpropyl 2-ethylheptanoate CAS: 28510-23-8 to determine its phototransformation in air. The calculation was based onCalculation 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.

Dissipation half-life of parent compound DT50 was determined to be 22.99 hour based on a 24 hour day.

Description of key information

Phototransformation in air is not relevant.

Key value for chemical safety assessment

Additional information

Based on a QSAR calculation using AOPWIN v1.92, 2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate (CAS No. 28510-23-8) is susceptible to indirect photodegradation in air. The estimated half time for the reaction with OH-radicals is 23 hours (24h day; OH-concentration: 0.5E+06 OH/cm3). However, photodegradation is not expected to be an important environmental fate process since the substance is not expected to evaporate into the atmosphere due to its very low vapor pressures of < 0.01 Pa at 20 °C. As this study is not a standard information requirement in REACH and there is no indication from the CSA on the need to investigate further the fate and behaviour of the substance, no further testing is considered necessary.