| Identification | More | [Name]
Ethyl isobutyrylacetate | [CAS]
7152-15-0 | [Synonyms]
4-METHYL-3-OXO-PENTANOIC ACID ETHYL ESTER
BETA-KETO-GAMMA-METHYLVALERIC ACID ETHYL ESTER
ETHYL-3-OXO-4-METHYLPENTANOATE
ETHYL 4-METHYL-3-OXOPENTANOATE
ETHYL ISOBUTYROYL ACETATE
ETHYL ISOBUTYRYLACETATE
Ethyl alpha-isobutyroylacetate
gamma,gamma-Dimethylacetoacetic acid ethyl ester
Valeric acid, 4-methyl-3-oxo-, ethyl ester
ETHYL ISOYRYLACETATE
ISOBUTYRYLACETIC ACID
Ethyl isobutyrylacetate ,98%
2-Isobutyrylacetic acid ethyl ester
3-Oxo-4-methylpentanoic acid ethyl
3-Oxo-4-methylvaleric acid ethyl
4-Methyl-3-oxovaleric acid ethyl | [EINECS(EC#)]
230-491-9 | [Molecular Formula]
C8H14O3 | [MDL Number]
MFCD00009198 | [Molecular Weight]
158.19 | [MOL File]
7152-15-0.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to yellow liquid | [Melting point ]
-9 °C (lit.) | [Boiling point ]
173 °C (lit.) | [density ]
0.98 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.425(lit.)
| [Fp ]
128 °F
| [storage temp. ]
Flammables area | [solubility ]
Soluble in chloroform and methanol. | [form ]
Liquid | [pka]
10.61±0.46(Predicted) | [color ]
Clear colorless to light yellow | [Detection Methods]
GC,NMR | [BRN ]
636726 | [InChI]
InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3 | [InChIKey]
XCLDSQRVMMXWMS-UHFFFAOYSA-N | [SMILES]
C(OCC)(=O)CC(=O)C(C)C | [CAS DataBase Reference]
7152-15-0(CAS DataBase Reference) | [NIST Chemistry Reference]
Pentanoic acid, 4-methyl-3-oxo-, ethyl ester(7152-15-0) |
| Safety Data | Back Directory | [Risk Statements ]
R10:Flammable. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 3272 3/PG 3
| [WGK Germany ]
3
| [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29183000 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
4-Pentenoic acid, 3-hydroxy-4-Methyl-, ethyl ester-->DIETHYL ISOBUTYROYLMALONATE-->4-METHYL-3-OXOPENTANENITRILE-->3-Methyl-2-butanone-->Ethyl chloroformate-->Ethyl acetate-->2,2-Dimethyl-1,3-dioxane-4,6-dione-->Isobutyryl chloride-->Ethanol-->Hexamethylphosphoramide | [Preparation Products]
4-ISOPROPYL-1,2,3-THIADIAZOLE-5-CARBOXYLIC ACID-->ETHYL 4-ISOPROPYL-1,2,3-THIADIAZOLE-5-CARBOXYLATE-->Pentanoic acid, 3-hydroxy-4-methyl-, methyl ester-->4-(4-Fluorophenyl)-5-formyl-6-isopropyl-2-methylsulfonylpyrimidine |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to yellow liquid | [Uses]
Ethyl Isobutyrylacetate is used in the synthesis of piperazine derivatives as possible multireceptor atypical antipsychotics, affecting dopamine and serotonin receptor properties . Also used in the synthesis of pyrazinecarboxamide DGAT1 (diacylglycerol acyltransferase 1) inhibitors used in the treatment of obesity. |
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