ETHYL 3,5-DIMETHYLBENZOYLFORMATE
CAS No.:
100117-62-2
M. Wt:
206.23800
M. Fa:
C12H14O3
InChI Key:
FSLQIQOXXSVLCU-UHFFFAOYSA-N
Appearance:
Oil
Names and Identifiers of ETHYL 3,5-DIMETHYLBENZOYLFORMATE
CAS Number |
100117-62-2 |
|---|---|
MDL Number |
MFCD01311166 |
IUPAC Name |
ethyl 2-(3,5-dimethylphenyl)-2-oxoacetate |
InChI |
InChI=1S/C12H14O3/c1-4-15-12(14)11(13)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3 |
InChIKey |
FSLQIQOXXSVLCU-UHFFFAOYSA-N |
Canonical SMILES |
CCOC(=O)C(=O)C1=CC(C)=CC(C)=C1 |
UNSPSC Code |
12352100 |
Physical and chemical properties of ETHYL 3,5-DIMETHYLBENZOYLFORMATE
Boiling Point |
322.8ºC at 760 mmHg |
|---|---|
Density |
1.085g/cm3 |
Exact Mass |
206.09400 |
Flash Point |
145.4ºC |
Index of Refraction |
1.511 |
LogP |
2.04920 |
Molecular Formula |
C12H14O3 |
Molecular Weight |
206.23800 |
PSA |
43.37000 |
Vapour Pressure |
0.000273mmHg at 25°C |
Safety Information of ETHYL 3,5-DIMETHYLBENZOYLFORMATE
Applications of ETHYL 3,5-DIMETHYLBENZOYLFORMATE
Ethyl 3,5-dimethylbenzoylformate has several applications:
- Flavoring Agent: Due to its aromatic properties, it may be used as a flavoring agent in food products.
- Fragrance Component: Its pleasant scent makes it suitable for use in perfumes and other fragrance formulations.
- Intermediate in Organic Synthesis: It serves as an intermediate in the synthesis of more complex organic compounds, particularly those related to pyrazine chemistry.
Interaction Studies of ETHYL 3,5-DIMETHYLBENZOYLFORMATE
While specific interaction studies focusing solely on Ethyl 3,5-dimethylbenzoylformate are scarce, related compounds have been shown to interact with olfactory receptors effectively. Research into similar compounds indicates that structural variations can significantly influence their binding affinities and sensory perceptions. Further studies could elucidate how Ethyl 3,5-dimethylbenzoylformate interacts within biological systems or sensory pathways.
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