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EC number: 249-060-1 | CAS number: 28510-23-8
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Data waiving:
- study technically not feasible
- Justification for data waiving:
- other:
- Endpoint:
- hydrolysis
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting 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 HYDROWIN v2.00, 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):
- - Total Kb for pH > 8: 1.084E-003 L/mol sec - Temperature for which rate constant was calculated: 25 °C- Computer programme: HYDROWIN v2.00
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- 202.56 yr
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 8
- Temp.:
- 25 °C
- DT50:
- 20.26 yr
- Type:
- (pseudo-)first order (= half-life)
- Details on results:
- For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
- Validity criteria fulfilled:
- yes
- Conclusions:
- DT50 202.56 years at 25°C, pH 7 DT50 20.26 years at 25°C, pH 8
- Executive summary:
An assessment was conducted on 3-[(2-ethylhexanoyl)oxy]-2,2-dimethylpropyl 2-ethylheptanoate CAS: 28510-23-8 (uncharged) to determine its hydrolysis rate constant. The assessment was done so using the QSAR model Aqueous Hydrolysis Rate Program (HYDROWIN).
Dissipation half-life of parent compound DT50 was determined to be:
DT50 202.56 years at 25°C, pH 7
DT50 20.26 years at 25°C, pH 8
Referenceopen allclose all
Result refers to the uncharged molecule.
Description of key information
Abiotic degradation is not relevant.
Key value for chemical safety assessment
Additional information
Testing is technically not possible. In accordance with Annex VIII, Column 2 (9.2.2.1) of Regulation (EC) No. 1907/2006, testing for hydrolysis as a function of pH is not required since the substance is highly insoluble in water (< 0.01 mg/L in aqua dest). In addition, a QSAR calculation with 2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate (CAS No. 28510-23-8) using HYDROWIN v2.00, indicates that hydrolysis is not a relevant degradation pathway at environmental conditions (DT50 [pH7] > 1 yr; Hopp, 2011).
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