Benzyl 2-Ethoxy-2-methylpropanoate
CAS No.:
1000296-72-9
M. Wt:
222.28000
M. Fa:
C13H18O3
InChI Key:
CNHMQZFFADAGSF-UHFFFAOYSA-N
Names and Identifiers of Benzyl 2-Ethoxy-2-methylpropanoate
CAS Number |
1000296-72-9 |
|---|---|
MDL Number |
MFCD28122815 |
IUPAC Name |
benzyl 2-ethoxy-2-methylpropanoate |
InChI |
InChI=1S/C13H18O3/c1-4-16-13(2,3)12(14)15-10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3 |
InChIKey |
CNHMQZFFADAGSF-UHFFFAOYSA-N |
Canonical SMILES |
CCOC(C)(C)C(=O)OCC1=CC=CC=C1 |
UNSPSC Code |
12352100 |
Physical and chemical properties of Benzyl 2-Ethoxy-2-methylpropanoate
Boiling Point |
309.2±17.0 °C(Predicted) |
|---|---|
Density |
1.035±0.06 g/cm3(Predicted) |
Exact Mass |
222.12600 |
H Bond Acceptors |
2 |
H Bond Donors |
0 |
LogP |
2.54490 |
Molecular Formula |
C13H18O3 |
Molecular Weight |
222.28000 |
PSA |
35.53000 |
Safety Information of Benzyl 2-Ethoxy-2-methylpropanoate
Applications of Benzyl 2-Ethoxy-2-methylpropanoate
Benzyl 2-ethoxy-2-methylpropanoate has diverse applications across several fields:
- Organic Synthesis: It serves as a versatile building block for synthesizing more complex organic molecules.
- Biochemical Research: The compound is used in studies focused on enzyme-catalyzed reactions and metabolic pathways involving esters.
- Pharmaceuticals: Its potential use in drug delivery systems makes it valuable for developing new therapeutic agents.
- Food Industry: The compound may also function as a flavoring agent due to its pleasant aroma, characteristic of many esters.
Interaction Studies of Benzyl 2-Ethoxy-2-methylpropanoate
Interaction studies involving Benzyl 2-ethoxy-2-methylpropanoate primarily focus on its behavior in enzymatic reactions, particularly hydrolysis. These studies help elucidate how this compound interacts with various enzymes and can provide insights into its potential applications in drug formulation and metabolic processes.
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