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ChemicalBook--->CAS DataBase List--->3249-68-1

3249-68-1

3249-68-1 Structure

3249-68-1 Structure
IdentificationMore
[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 PropertiesBack 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
[InChIKey]

KQWWVLVLVYYYDT-UHFFFAOYSA-N
[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 DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

3
[RTECS ]

MO8420500
[HS Code ]

29183000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Propionyl chloride-->ETHYL 2-ACETYL-3-OXO-HEXANOATE-->Acetic acid, 2-[(1-oxobutyl)thio]-, ethyl ester-->Ethyl potassium malonate-->BUTYRONITRILE
[Preparation Products]

2-Pentanone-->6-BROMO-3-BUTYRYL-2H-CHROMEN-2-ONE-->Propylthiouracil-->CALANOLIDE A-->ETHYL 3-HYDROXYHEXANOATE-->6,7-Dihydroxy-4-propyl-2H-chromen-2-one-->4(1H)-Pyrimidinone, 6-propyl- (9CI)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethyl 3-oxohexanoate(3249-68-1).msds
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl butyrylacetate(3249-68-1)MS
Ethyl butyrylacetate(3249-68-1)1HNMR
Ethyl butyrylacetate(3249-68-1)13CNMR
Ethyl butyrylacetate(3249-68-1)IR1
Ethyl butyrylacetate(3249-68-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl butyrylacetate, 98%(3249-68-1)
[Alfa Aesar]

Ethyl butyrylacetate, 98%(3249-68-1)
[Sigma Aldrich]

3249-68-1(sigmaaldrich)
[TCI AMERICA]

Ethyl 3-Oxohexanoate,>95.0%(GC)(3249-68-1)
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