Registration Dossier

Environmental fate & pathways

Hydrolysis

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

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".

Result refers to the uncharged molecule.

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

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).