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 |
New Products
Bromine 99.5% AR (4 x 500ml) Fehling's Solution No. B Amino Acid Kit of 23 items set Ammonium Molybdate Reagent Solution Beam's Reagent Solution Ehrlich's Reagent For detection of urobillinogen 4-Hydroxy Carbazole 4-((2-isopropoxyethoxy)methyl)phenol 2 – Methoxy – 5- Sulfamoyl Benzoic acid Amino Salicylic Acid. U.S.P. 1,2,3,4-Tetrahydrocarbazol-4-one Acetone Isobutryl oxime ester Curcuma aromatica Oil Curry leaf Extract Terminalia bellirica Extract Aloe vera extract 200x Withania somnifera (Ashwagandha Extract) Citrus bioflavonoids Extract (S)-4-(4-(5-(Aminomethyl)-2-Oxooxazolidin-3-Yl)Phenyl)Mo Ethyl N-[[2-[[[4-(Aminoiminomethyl)Phenyl]Amino]Methyl] 5-Nitrosalicylaldehyde 5-(Difluoromethoxy)-2-Mercapto-1H-Benzimidazole- IP/BP/ Cypermethric Acid Chloride Methyl Di Chloride (Mdc)Related products of tetrahydrofuran
Methyl 3-oxohexanoate
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Ethyl cellulose
Ethyl formate
Ethylbenzene
CHLOROETHANE
Ethyl propionylacetate
Ethyl butyrylacetate
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