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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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Diss Factsheets

Environmental fate & pathways

Hydrolysis

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Reference
Endpoint:
hydrolysis
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2020-03-31
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE

Estimation Programs Interface (EPI) Suite for Microsoft Windows, v4.11 (US EPA, 2012)

2. MODEL (incl. version number)
HYDROWIN v2.00

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O=C(NCC1)C1, see also section 'Test Material'

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.

5. APPLICABILITY DOMAIN
See attached QPRF.

6. ADEQUACY OF THE RESULT
- The model is scientifically valid (see attached QMRF).
- See attached QPRF for reliability assessment.
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version: EpiSuite v4.11
- Model(s) used: HYDROWIN v2.00
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' )
Specific details on test material used for the study:
O=C(NCC1)C1
Estimation method (if used):
Calculation with software tool EPI-WIN (HYDROWIN, v2.00) of US-EPA
Transformation products:
not specified
Details on hydrolysis and appearance of transformation product(s):
The estimation for aqueous hydrolysis rate constants for the active substance 2-pyrrolidone is based on the computer program HYDROWIN v2.00. It detects amides as hydrolysable functional group and gives the information that most amides hydrolyze to acids extremely slow at 25 °C and at a pH value of 7. Electronegative groups on carbon or nitrogen greatly accelerate base catalyzed hydrolysis, but alkyl groups on nitrogen retard both acid and base catalyzed processes. No neutral hydrolysis is evident.
pH:
7
Temp.:
25 °C
DT50:
> 1 yr
Type:
other: EPIWin calculation (HYDROWIN, v2.00)
Validity criteria fulfilled:
yes
Conclusions:
The test substance is expected to be stable.
Executive summary:

An estimation regarding possible hydrolysis of 2 -pyrrolidone was done with help of software tool EPI-Win (HYDROWIN, v2.00). The test substance is expected to be stable.

Description of key information

2-Pyrrolidone is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions. QSAR calculations based on EPIWin software tool (US-EPA) confirm this justification since the test substance is assigned as stable.

Key value for chemical safety assessment

Half-life for hydrolysis:
1 yr
at the temperature of:
25 °C

Additional information