Ethyl butyrylacetate
Synonym(s):Ethyl butyrylacetate
- CAS NO.：3249-68-1
- Empirical Formula: C8H14O3
- Molecular Weight: 158.2
- MDL number: MFCD00009401
- EINECS: 221-835-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-07-31 12:14:15
What is Ethyl butyrylacetate ?
Chemical properties
colourless liquid
Chemical properties
Ethyl 3-oxohexanoate has a slightly fatty odor.
The Uses of Ethyl butyrylacetate
Ethyl Butyrylacetate is used in the synthesis of pharmaceutical agents such as the anti-HIV agent (+/-)-Calanolide A.Also used in the synthesis of potent and selective polymerase inhibitors.
Definition
ChEBI: Ethyl 3-oxohexanoate is a fatty acid ethyl ester. It is functionally related to a 3-oxohexanoic acid.
Taste threshold values
Taste characteristics at 50 ppm: fruity, pineapple and green with sweet licorice and vanilla notes.
Synthesis Reference(s)
The Journal of Organic Chemistry, 44, p. 310, 1979 DOI: 10.1021/jo01316a039
General Description
Ethyl 3-oxohexanoate is a volatile flavor ester that is reported to occur in banana fruit. It can undergo bioreduction to form ethyl (R)-3-hydroxyhexanoate, another key food flavoring agent.
Properties of Ethyl butyrylacetate
| Melting point: | -44°C |
| Boiling point: | 104 °C22 mm Hg(lit.) |
| Density | 0.989 g/mL at 25 °C(lit.) |
| refractive index | n |
| FEMA | 3683 | ETHYL 3-OXOHEXANOATE |
| Flash point: | 173 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Chloroform, Dichloromethane, Ethyl Acetate, Methanol |
| form | Liquid |
| pka | 10.69±0.46(Predicted) |
| color | Clear colorless |
| Odor | at 100.00 %. sweet green sweaty fruity berry |
| Water Solubility | IMMISCIBLE |
| JECFA Number | 602 |
| BRN | 507689 |
| Stability: | Stable. Incompatible with strong oxidizing agents. |
| CAS DataBase Reference | 3249-68-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Hexanoic acid, 3-oxo-, ethyl ester(3249-68-1) |
Safety information for Ethyl butyrylacetate
| Signal word | Warning |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H227:Flammable liquids H301:Acute toxicity,oral |
| Precautionary Statement Codes |
P405:Store locked up. P403+P235:Store in a well-ventilated place. Keep cool. |
Computed Descriptors for Ethyl butyrylacetate
| InChIKey | KQWWVLVLVYYYDT-UHFFFAOYSA-N |
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