Ethyl 4-hydroxybutanoate
CAS No.:
999-10-0
M. Wt:
132.15800
M. Fa:
C6H12O3
InChI Key:
AYPJVXQBVHCUCJ-UHFFFAOYSA-N
Appearance:
Oil
Names and Identifiers of Ethyl 4-hydroxybutanoate
CAS Number |
999-10-0 |
|---|---|
MDL Number |
MFCD09926765 |
IUPAC Name |
ethyl 4-hydroxybutanoate |
InChI |
InChI=1S/C6H12O3/c1-2-9-6(8)4-3-5-7/h7H,2-5H2,1H3 |
InChIKey |
AYPJVXQBVHCUCJ-UHFFFAOYSA-N |
Canonical SMILES |
CCOC(=O)CCCO |
UNSPSC Code |
12352100 |
Physical and chemical properties of Ethyl 4-hydroxybutanoate
Acidity coefficient |
14.88±0.10(Predicted) |
|---|---|
Boiling Point |
205ºC |
Density |
1.027 |
Exact Mass |
132.07900 |
Flash Point |
81ºC |
H Bond Acceptors |
2 |
H Bond Donors |
1 |
LogP |
0.32200 |
Molecular Formula |
C6H12O3 |
Molecular Weight |
132.15800 |
PSA |
46.53000 |
Solubility |
Chloroform (Sparingly), Methaol (Slightly) |
Storage condition |
Refrigerator, under inert atmosphere |
Safety Information of Ethyl 4-hydroxybutanoate
Applications of Ethyl 4-hydroxybutanoate
Ethyl 4-hydroxybutanoate has several applications across different industries:
- Flavoring and Fragrance: Due to its pleasant fruity aroma, it is used in food flavoring and perfumes.
- Pharmaceuticals: It serves as an intermediate in the synthesis of various pharmaceutical compounds.
- Chemical Synthesis: Utilized as a reagent in organic synthesis for producing other esters and functionalized compounds.
Biological Activity of Ethyl 4-hydroxybutanoate
Research indicates that ethyl 4-hydroxybutanoate exhibits various biological activities. It has been studied for its potential neuroprotective effects and its role in metabolic pathways. Some studies suggest that it may influence neurotransmitter systems, although further research is needed to fully understand its mechanisms and applications in medicine.
Physical sample testing spectrum (NMR) of Ethyl 4-hydroxybutanoate
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