ChemicalBook--->CAS DataBase List--->30414-54-1

30414-54-1

30414-54-1 Structure

30414-54-1 Structure
IdentificationMore
[Name]

Methyl 3-oxohexanoate
[CAS]

30414-54-1
[Synonyms]

3-KETOHEXANOIC ACID METHYL ESTER
3-KETO-N-HEXANOIC ACID METHYL ESTER
3-OXOHEXANOIC ACID METHYL ESTER
BEM
BUTYRYLACETIC ACID METHYL ESTER
METHYL 3-OXOCAPROATE
METHYL 3-OXOHEXANOATE
METHYL BUTYRYLACETATE
3-KETO-N-HEXANOIC ACID METHYL ESTER 98+%
Methyl butyrylacetate, 98+%
BEM, Methyl 3-oxocaproate, Methyl butyrylacetate
3-Ketocaproic acid methyl ester
[EINECS(EC#)]

250-185-9
[Molecular Formula]

C7H12O3
[MDL Number]

MFCD00040995
[Molecular Weight]

144.17
[MOL File]

30414-54-1.mol
Chemical PropertiesBack Directory
[Melting point ]

-43°C
[Boiling point ]

85-88 °C25 hPa(lit.)
[density ]

1.017 g/mL at 20 °C(lit.)
[vapor pressure ]

40Pa at 20℃
[refractive index ]

1.4260
[Fp ]

90°C
[storage temp. ]

Sealed in dry,2-8°C
[form ]

clear liquid
[pka]

10.67±0.46(Predicted)
[color ]

Colorless to Almost colorless
[Water Solubility ]

33g/L at 20℃
[BRN ]

636165
[LogP]

0.877 at 20℃
[CAS DataBase Reference]

30414-54-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Hexanoic acid, 3-oxo-, methyl ester(30414-54-1)
Safety DataBack Directory
[Safety Statements ]

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

3
[HS Code ]

2918300090
Hazard InformationBack Directory
[Uses]

Methyl 3-oxohexanoate (Methyl Butyrylacetate) is an organic compound commonly used in the manufacture of fragrances, drugs, and other chemicals. It can be used as a condensation reagent, a diazotization reagent and an addition reagent, and it plays a catalytic role in some organic synthesis reactions, and can also play a role in some drug synthesis. In addition, the compound is widely used in the food industry, for example in products such as juices, beer and confectionery.
[Synthesis]

Butyl chloride (18.0 g, 168.94 mmol) in CHCl3 (50 mL) was added dropwise to a stirred solution of 2,2-dimethyl-1,3-dioxane-4,6-dione (22.14 g, 153.58 mmol) and pyridine (25.0 mL, 307.2 mmol) in CHCl3 (250 mL) at 0 °C and stirred for 1 hour. The reaction m
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 3-oxohexanoate(30414-54-1)MS
Methyl 3-oxohexanoate(30414-54-1)1HNMR
Methyl 3-oxohexanoate(30414-54-1)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Methyl butyrylacetate, 98+%(30414-54-1)
[Sigma Aldrich]

30414-54-1(sigmaaldrich)
[TCI AMERICA]

Methyl 3-Oxohexanoate,>96.0%(GC)(30414-54-1)
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