3-Formylbut-2-enyl acetate
Names and Identifiers of 3-Formylbut-2-enyl acetate
CAS Number |
14918-80-0 |
|---|---|
EC Number |
238-989-8 |
IUPAC Name |
(3-methyl-4-oxobut-2-enyl) acetate |
InChI |
InChI=1S/C7H10O3/c1-6(5-8)3-4-10-7(2)9/h3,5H,4H2,1-2H3 |
InChIKey |
LPDDKAJRWGPGSI-UHFFFAOYSA-N |
Canonical SMILES |
CC(=CCOC(=O)C)C=O |
Isomeric SMILES |
C/C(=C\COC(=O)C)/C=O |
Physical and chemical properties of 3-Formylbut-2-enyl acetate
Boiling Point |
232.6ºC at 760mmHg |
|---|---|
Density |
1.027g/cm3 |
Exact Mass |
142.06300 |
Flash Point |
96.5ºC |
Index of Refraction |
1.438 |
LogP |
0.69470 |
Melting Point |
50-55 °C |
Molecular Formula |
C7H10O3 |
Molecular Weight |
142.15200 |
PSA |
43.37000 |
Vapour Pressure |
0.0586mmHg at 25°C |
Safety Information of 3-Formylbut-2-enyl acetate
Applications of 3-Formylbut-2-enyl acetate
3-Formylcrotyl acetate finds applications in several areas:
- Organic Synthesis: It serves as an intermediate in the synthesis of more complex organic molecules.
- Flavoring Agents: Due to its pleasant aroma, it may be utilized in flavoring and fragrance formulations.
- Pharmaceuticals: Its potential biological activities make it a candidate for developing new therapeutic agents.
Interaction Studies of 3-Formylbut-2-enyl acetate
Interaction studies involving 3-formylcrotyl acetate focus on its reactivity with various nucleophiles and electrophiles. These studies help elucidate its behavior in biochemical environments, which is crucial for understanding its potential therapeutic applications. The compound's interactions with enzymes or receptors are areas of ongoing research that could reveal novel pathways for drug development.
Biological Activity of 3-Formylbut-2-enyl acetate
Research into the biological activity of 3-formylcrotyl acetate indicates potential pharmacological properties. Preliminary studies suggest that it may exhibit antimicrobial and antifungal activities, making it a candidate for further investigation in drug development. The specific mechanisms of action are not fully elucidated, but its structural features suggest interactions with biological targets that could lead to therapeutic effects.