Registration Dossier
Registration Dossier
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
