2-Propenoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester

Hydrolysis

Administrative data

Endpoint:

hydrolysis

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2020

Report date:

2020

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 111 (Hydrolysis as a Function of pH)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Test material

Test material information

Constituent 1

Reference substance name:

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl prop-2-enoate

EC Number:

814-155-4

Cas Number:

13188-82-4

Molecular formula:

C9H14O4

IUPAC Name:

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl prop-2-enoate

Test material form:

liquid

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- batch number of test material: 0812-HS-0030
- date of production of the lot/batch: Oct 16, 2018
- Purity: 96.2 GC area %

Radiolabelling:

no

Study design

Analytical monitoring:

yes

Details on sampling:

Sample preparation
5 μL of the test item, exactly weighed, were dissolved in 250 ml
buffer pH 4, 7 or 9 ( each degassed previously with nitrogen).
These test solutions were applied for the tests.

Number of replicates
Duplicate samples for each time point contained in separate reaction
vessels

Sample treatment
About 1.5 ml of test solution were filled into amber-coloured vials
and incubated in a thermostatted rack at the respective temperatures
and time. The 20 °C samples were conditioned in a water
bath.

Treatment of the blanks
Buffer solutions were incubated in a warming cupboard or water
bath at the respective temperatures for the length of the respective
experiment.

Details on test conditions:

TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: 20 mL glass vials
- Sterilisation method: glassware was sterilised via drying at 90 °C after cleaning and storing in a drying oven at 90 °C overnight
- Lighting: not specified
- Measures taken to avoid photolytic effects: not specified
- Measures to exclude oxygen: degassing of the buffer solutions with nitrogen, before addition of the test item
- Details on test procedure for unstable compounds: not applicable
- Details of traps for volatile, if any : not applicable
- If no traps were used, is the test system closed/open: closed
- Is there any indication of the test material adsorbing to the walls of the test apparatus? no
TEST MEDIUM
- Volume used/treatment : 10 mL buffer solution + 0.15 µL test item
- Kind and purity of water: test performed in buffer solutions (pH 4, pH 7, pH 9)
- Preparation of test medium: see above
- Renewal of test solution: not applicable
- Identity and concentration of co-solvent: not applicable
OTHER TEST CONDITIONS
- Adjustment of pH: no
- Dissolved oxygen: not specified

Number of replicates:

2

Positive controls:

no

Negative controls:

no

Results and discussion

Preliminary study:

Mixtures of the test item with different buffer solutions were prepared.
The test item was soluble in the buffer solutions.

Transformation products:

yes

Identity of transformation products

Identity of transformation products 1

No.:

#1

Reference

Reference substance name:

Unnamed

IUPAC name:

acrylic acid

Inventory number:

InventoryMultipleMappingImpl [inventoryEntryValue=EC 201-177-9]

CAS number:

79-10-7

Molecular formula:

C3H4O2

Molecular weight:

72.063

SMILES notation:

OC(=O)C=C

InChl:

InChI=1/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)

Identity of transformation products 2

No.:

#2

Reference

Reference substance name:

Unnamed

IUPAC name:

(2,2-dimethyl-1,3-dioxolan-4-yl)methanol

Inventory number:

InventoryMultipleMappingImpl [inventoryEntryValue=EC 202-888-7]

CAS number:

100-79-8

Molecular formula:

C6H12O3

Molecular weight:

132.158

SMILES notation:

CC1(C)OCC(CO)O1

InChl:

InChI=1/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3

Dissipation DT50 of parent compound

Dissipation DT50 of parent compound 1

pH:

4

Temp.:

20 °C

DT50:

282 h

Dissipation DT50 of parent compound 2

pH:

7

Temp.:

20 °C

DT50:

9 275 h

Dissipation DT50 of parent compound 3

pH:

9

Temp.:

20 °C

DT50:

177 h