| Identification | More | [Name]
Ethyl butyrylacetate | [CAS]
3249-68-1 | [Synonyms]
3-KETOHEXANOIC ACID ETHYL ESTER
3-KETO-N-HEXANOIC ACID ETHYL ESTER
3-OXOHEXANOIC ACID ETHYL ESTER
AKOS 220-93
BUTYRYLACETIC ACID ETHYL ESTER
ETHYL 3-KETOHEXANOATE
ETHYL 3-OXOHEXANOATE
Ethyl beta-ketohexanoate
ETHYL B-KETOCAPROATE
ETHYL BUTYROYL ACETATE
ETHYL BUTYRYLACETATE
FEMA 3683
3-oxo-hexanoicaciethylester
Ethyl alpha-butyrylacetate
Ethyl butyroacetate
Butyrylacetic acid ethyl ester~Ethyl 3-oxohexanoate~3-Oxohexanoic acid ethyl ester
ETHYL 3-OXOHEXANOATE 98+%
ERHYL BUTYRYLACETATE
Ethylbutyrylacetate,98%
Ehtyl butyryl acetate | [EINECS(EC#)]
221-835-9 | [Molecular Formula]
C8H14O3 | [MDL Number]
MFCD00009401 | [Molecular Weight]
158.19 | [MOL File]
3249-68-1.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [Melting point ]
-44°C | [Boiling point ]
104 °C22 mm Hg(lit.)
| [density ]
0.989 g/mL at 25 °C(lit.)
| [FEMA ]
3683 | [refractive index ]
n20/D 1.427(lit.)
| [Fp ]
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 | [Stability:]
Stable. Incompatible with strong oxidizing agents. | [biological source]
synthetic | [Odor Type]
green | [Water Solubility ]
IMMISCIBLE | [JECFA Number]
602 | [BRN ]
507689 | [InChI]
1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3 | [InChIKey]
KQWWVLVLVYYYDT-UHFFFAOYSA-N | [SMILES]
CCCC(=O)CC(=O)OCC | [LogP]
1.78 | [CAS DataBase Reference]
3249-68-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Hexanoic acid, 3-oxo-, ethyl ester(3249-68-1) |
| Safety Data | Back Directory | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
NA 1993 / PGIII | [WGK Germany ]
3
| [RTECS ]
MO8420500 | [REACH Registrations]
Active | [HS Code ]
29183000 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [Chemical Properties]
colourless liquid | [Chemical Properties]
Ethyl 3-oxohexanoate has a slightly fatty odor. | [Uses]
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. |
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