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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Hexanoic acid, 3-oxo-, methyl ester

CCCC(=O)CC(=O)OC Request for Quotation
Chemical Name: Hexanoic acid, 3-oxo-, methyl ester
CAS Number: 30414-54-1
Product Number: AG00301W(AGN-PC-0JLNNK)
Synonyms:
MDL No:
Molecular Formula: C7H12O3
Molecular Weight: 144.1684

Identification/Properties

Properties
MP:
-43 °C
BP:
193°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
1.4260
Computed Properties
Molecular Weight:
144.17g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
144.079g/mol
Monoisotopic Mass:
144.079g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
129
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 3-oxohexanoate, also known as methyl levulinate, is a valuable compound in chemical synthesis with a wide range of applications. This versatile chemical is commonly used as a building block in organic synthesis processes due to its reactive carbonyl group and unique chemical properties.One of the key applications of Methyl 3-oxohexanoate is its role as a precursor in the synthesis of various pharmaceutical compounds. It serves as a starting material for the preparation of diverse drug molecules, including those with therapeutic effects on inflammation, bacterial infections, and neurological disorders. Its ability to undergo various reactions, such as condensation, reduction, and substitution, makes it a valuable intermediate in medicinal chemistry.Additionally, Methyl 3-oxohexanoate is utilized in the production of fragrances and flavors. Its ester functionality imparts pleasant fruity and floral notes, making it a desirable component in perfumes, cosmetics, and food products. By selectively modifying the chemical structure of Methyl 3-oxohexanoate, chemists can create a wide array of aromatic compounds to meet specific fragrance requirements.In the field of materials science, Methyl 3-oxohexanoate finds application as a crosslinking agent in polymer chemistry. Its ability to form stable bonds with polymers enhances their mechanical properties, thermal stability, and chemical resistance. By incorporating Methyl 3-oxohexanoate into polymer matrices, researchers can tailor the properties of materials for applications in coatings, adhesives, and composites.Overall, Methyl 3-oxohexanoate plays a crucial role in chemical synthesis by serving as a versatile intermediate for the production of pharmaceuticals, fragrances, and advanced materials. Its diverse applications highlight its significance in various industries and underscore its importance in modern synthetic chemistry.