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EC number: 203-090-1 | CAS number: 103-23-1
Phototransformation in air
Administrative data
Link to relevant study record(s)
- 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:
- QSAR prediction: migrated from IUCLID 5.6
- 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: 25.3514 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92 - DT50:
- 15.19 h
- Test condition:
- calculation based on a 24 h day
- Validity criteria fulfilled:
- yes
- Endpoint:
- phototransformation in air
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Validated QSAR model. Calculation for degradation product of DEHA
- 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: 25.3514 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92 - DT50:
- 29.1 h
- Test condition:
- calculation based on a 24 h day
- Validity criteria fulfilled:
- yes
- Endpoint:
- phototransformation in air
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Validated QSAR model. Calculation for degradation product of DEHA
- 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: 25.3514 E-12 cm3/molecule-sec
- Temperature for which rate constant was calculated: 25 °C
- Computer programme: AOPWIN v1.92 - DT50:
- 11.33 h
- Test condition:
- calculation based on a 24 h day
- Validity criteria fulfilled:
- yes
Referenceopen allclose all
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.
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.
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
After evaporation or exposure to the air, bis(2-ethylhexyl)adipate will be rapidly degraded by photochemical processes.
Key value for chemical safety assessment
- Half-life in air:
- 15.19 h
- Degradation rate constant with OH radicals:
- 0 cm³ molecule-1 s-1
Additional information
No experimental studies investigating the phototransformation of Bis(2-ethylhexyl) adipate (CAS 103-23-1) in air is available. QSAR calculations using AOPWIN v1.92 indicate, that DEHA and relevant volatile metabolites (2-ethylhexanal, 2-ethylhexanol) are susceptile to indirect photodegradation in air. The estimated half time for the reaction with OH-radicals is calculated to be 15.19 h (DEHA), 11.33h (2-ethylhexanal) and 29.1h (2-ethylhexanol), respectively (24h day; OH-concentration: 0.5E+06 OH/cm3). However, photodegradation is not considered to be an important environmental fate process since the substance is not expected to evaporate into the atmosphere due to the low vapor pressure of < 0.0001 Pa at 20 °C and the metabolites are assumed to be rapidly oxidized to the respective acid.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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