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ChemicalBook--->CAS DataBase List--->42558-54-3

42558-54-3

42558-54-3 Structure

42558-54-3 Structure
IdentificationMore
[Name]

Methyl isobutyrylacetate
[CAS]

42558-54-3
[Synonyms]

4-METHYL-3-OXO-PENTANOIC ACID METHYL ESTER
4-METHYL-3-OXOVALERIC ACID METHYL ESTER
BUTTPARK 30\10-63
IBEM
ISOBUTYLACETIC ACID METHYL ESTER
ISOBUTYRYLACETIC ACID METHYL ESTER
ISO-BUTYRYL METHYL ACETATE
METHYL 4-METHYL-3-OXOPENTANOATE
METHYL 4-METHYL-3-OXOVALERATE
METHYL ISOBUTYLOYLACETATE
METHYL ISOBUTYRYLACETATE
MIBA
Methyl Isobutyryacetate
M1 METHYL ISOBUTYL ACETATE
Methyl-(4-methyl-3-oxopentanoat)
IBEM, Methyl isobutyrylacetate
Pentanoic acid, 4-methyl-3-oxo-, methyl ester
3-Amino-5-(methylisobutylamino)-6-chloro-N-(aminoiminomethyl)pyrazine-2-carboxamide
3-Amino-5-(N-methyl-N-isobutylamino)-6-chloro-N-(aminoiminomethyl)-2-pyrazinecarboxamide
6-Chloro-3-amino-5-[methyl(2-methylpropyl)amino]-N-(diaminomethylene)-2-pyrazinecarboxamide
[EINECS(EC#)]

418-900-0
[Molecular Formula]

C7H12O3
[MDL Number]

MFCD00040499
[Molecular Weight]

144.17
[MOL File]

42558-54-3.mol
Chemical PropertiesBack Directory
[Appearance]

colorless to yellowish liquid
[Melting point ]

-75°C
[Boiling point ]

55-57 °C15 hPa(lit.)
[density ]

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

1.46hPa at 25℃
[refractive index ]

1.4265
[Fp ]

79°C
[storage temp. ]

Store below +30°C.
[solubility ]

43.6g/l
[form ]

Oil
[pka]

10.59±0.46(Predicted)
[color ]

Colourless
[PH]

4.8 (10g/l, H2O, 20℃)
[explosive limit]

1.29%(V)
[Water Solubility ]

43.6g/L at 20℃
[Usage]

Used for the synthesis if heterocycles (Furane, Pyrazolone, Chinilone) and building block for pharmaceuticals (reducer of cholesterol). Product Data Sheet
[BRN ]

1857823
[InChIKey]

HNNFDXWDCFCVDM-UHFFFAOYSA-N
[CAS DataBase Reference]

42558-54-3(CAS DataBase Reference)
Safety DataBack Directory
[Risk Statements ]

R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

1
[HS Code ]

29183000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2,2-diMethyl-5-(2-Methylpropanoyl)-1,3-dioxane-4,6-dione-->ethyl 3-oxo-2-acetyl-4-Methylpentanoate-->Azulene, 1,2,3,3a,6,8a-hexahydro-1,4-dimethyl-7-(1-methylethyl)-, (1R,3aS,8aS)--->METHYL 4-METHYL-2-PENTENOATE-->4-Methyl-3-oxopentanoic acid-->ISOBUTYRYL MELDRUM'S ACID-->METHYL DIAZOACETATE-->Isobutyryl chloride-->Ethyl isobutyrylacetate
[Preparation Products]

2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide-->1,3-Pentanediol, 4-methyl--->1-methoxy-4-methylpentan-3-ol-->5-Thiazolecarboxylic acid, 4-(1-methylethyl)-2-[4-(trifluoromethyl)phenyl]-, methyl ester-->2-AMINO-4-HYDROXY-6-ISOPROPYLPYRIMIDINE-->METHYL 5-ISOPROPYL-3-(2-(TRIFLUOROMETHOXY)PHENYL)ISOXAZOLE-4-CARBOXYLATE
Hazard InformationBack Directory
[Chemical Properties]

colorless to yellowish liquid
[Uses]

Methyl isobutyrylacetate is used for the synthesis if heterocycles (Furane, Pyrazolone, Chinilone) and building block for pharmaceuticals (reducer of cholesterol). Product Data Sheet
[Flammability and Explosibility]

Notclassified
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Methyl isobutyrylacetate, 98%(42558-54-3)
[Sigma Aldrich]

42558-54-3(sigmaaldrich)
[TCI AMERICA]

Methyl Isobutyrylacetate,>97.0%(GC)(42558-54-3)
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