Sulphoethyl methacrylate

Hydrolysis

Administrative data

Endpoint:

hydrolysis

Remarks:

pH8

Type of information:

(Q)SAR

Adequacy of study:

key study

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 limited documentation / justification

Justification for type of information:

1. SOFTWARE
OECD QSAR Toolbox
2. MODEL (incl. version number)
v4.2
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
- Defined endpoint:
- Unambiguous algorithm:
- Defined domain of applicability:
- Appropriate measures of goodness-of-fit and robustness and predictivity:
- Mechanistic interpretation:

5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
- Descriptor domain:
- Structural and mechanistic domains:
- Similarity with analogues in the training set:
- Other considerations (as appropriate):

6. ADEQUACY OF THE RESULT
[Explain how the prediction fits the purpose of classification and labelling and/or risk assessment]

Data source

Reference

Reference Type:

other: QSAR

Title:

Unnamed

Year:

2019

Report date:

2019

Materials and methods

Principles of method if other than guideline:

Kb Half-Life at pH 8 (EPISUITE) (v.1.0)

Test material

Test material information

Constituent 1

Reference substance name:

Sulphoethyl methacrylate

EC Number:

234-207-4

EC Name:

Sulphoethyl methacrylate

Cas Number:

10595-80-9

Molecular formula:

C6H10O5S

IUPAC Name:

sulphoethyl methacrylate

Test material form:

liquid: viscous

Results and discussion

Transformation products:

not measured

Dissipation DT50 of parent compound

Key result

pH:

8

DT50:

6.834 yr