2955-62-6

Basic information

• Product Name: Hexanoic acid, 4-oxo-, methyl ester
• CAS NO: 2955-62-6
• Molecular Formula: C7H12O3
• Molecular Weight: 144.17
• Mol File: 2955-62-6.mol
• Article Data: 9

Chemical Properties

• CAS DataBase Reference: Hexanoic acid, 4-oxo-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Hexanoic acid, 4-oxo-, methyl ester(2955-62-6)
• EPA Substance Registry System: Hexanoic acid, 4-oxo-, methyl ester(2955-62-6)

Safety Data

• Hazardous Substances Data: 2955-62-6(Hazardous Substances Data)

Usage

Description

Hexanoic acid, 4-oxo-, methyl ester, also known as methyl 4-oxohexanoate, is a colorless to pale yellow liquid with a fruity odor and the molecular formula C7H12O3. It is a chemical compound commonly used as a flavoring agent in the food and beverage industry, as well as a fragrance ingredient in perfumes and personal care products. Additionally, it has potential applications in pharmaceuticals, agrochemicals, and as a solvent in chemical processes.

Uses

Used in Food and Beverage Industry:
Hexanoic acid, 4-oxo-, methyl ester is used as a flavoring agent for its fruity odor, enhancing the taste and aroma of various food and drink products.
Used in Perfumes and Personal Care Products:
It is used as a fragrance ingredient in perfumes and personal care products, providing a pleasant and fruity scent.
Used in Pharmaceutical Industry:
Hexanoic acid, 4-oxo-, methyl ester has potential applications in the pharmaceutical industry, although specific uses are not detailed in the provided materials.
Used in Agrochemicals:
It also has potential applications in agrochemicals, although specific uses are not detailed in the provided materials.
Used as a Solvent in Chemical Processes:
Hexanoic acid, 4-oxo-, methyl ester can be used as a solvent in various chemical processes, although specific applications are not detailed in the provided materials.
Safety:
Methyl 4-oxohexanoate is considered safe for use in food products when used in accordance with good manufacturing practices. However, it should be handled and stored with appropriate safety measures due to its potentially hazardous properties.

Upstream product

• 67-56-1 methanol 
• 74-85-1 ethene 
• 201230-82-2 carbon monoxide 
• 106-70-7 methyl hexanoate 
• 95087-52-8 4-chloro-3-hexenoic acid 
• 99016-44-1 (Z)-4-Chloro-hex-3-enoic acid 
• 85806-21-9 2-ethyl-2,5-dimethoxy-2,5-dihydro-furan 

Downstream Products

• 412338-27-3 6-ethyl-4,5-dihydro-2H-pyridazin-3-one 
• 16432-53-4 hexane-1,4-diol 
• 1117-74-4 4-oxohexanoic acid 
• 101743-84-4 4,4-bis-(4-hydroxy-phenyl)-hexanoic acid 
• 695-06-7 hexan-4-olide 
• 528607-29-6 2-ethyl-2-[3-(toluene-4-sulfonyloxy)propyl]cyclopropanecarboxylic acid ethyl ester 
• 1026674-55-4 2-(3-benzyloxy-propyl)-2-ethyl-cyclopropane-1,1-dicarboxylic acid dimethyl ester 
• 528607-18-3 3-(2,2-dibromo-1-ethylcyclopropyl)propyl toluene-4-sulfonate 
• 1026026-03-8 2-(3-benzyloxy-propyl)-2-ethyl-cyclopropanecarboxylic acid ethyl ester 
• 528607-15-0 4-ethylpent-4-en-1-yl toluene-4-sulfonate 
• 528607-26-3 2-(3-hydroxypropyl)-2-ethylcyclopropanecarboxylic acid ethyl ester 
• 528607-23-0 4-ethylpent-4-enyloxymethylbenzene 
• 867214-41-3 5-{{4-[1-Benzyloxy-meth-(E)-ylidene]-hexanoyl}-[2-(6-methoxy-1-methyl-1H-indol-3-yl)-ethyl]-amino}-[1,3,4]oxadiazole-2-carboxylic acid methyl ester 

Relevant articles and documents

Non-Heme Iron Catalysts with a Rigid Bis-Isoindoline Backbone and Their Use in Selective Aliphatic C?H Oxidation

Iron complexes derived from a bis-isoindoline-bis-pyridine ligand platform based on the BPBP ligand (BPBP=N,N′-bis(2-picolyl)-2,2′-bis-pyrrolidine) have been synthesized and applied in selective aliphatic C?H oxidation with hydrogen peroxide under mild conditions. The introduction of benzene moieties on the bis-pyrrolidine backbone leads to an increased preference of tertiary over secondary C?H bond oxidation (3°/2° ratio up to 33). On the other hand, substituting the meta-position of the pyridines with bulky silyl groups affords enhanced secondary C?H oxidation selectivity and generally leads to higher product yields and mass balances. (Figure presented.).

An iron catalyst for oxidation of alkyl C-H bonds showing enhanced selectivity for methylenic sites

Many are called but few are chosen: A nonheme iron complex catalyzes the oxidation of alkyl C-H bonds by using H2O2 as the oxidant, showing an enhanced selectivity for secondary over tertiary C-H bonds (see scheme). Copyright

Combined effects on selectivity in Fe-catalyzed methylene oxidation

Methylene C-H bonds are among the most difficult chemical bonds to selectively functionalize because of their abundance in organic structures and inertness to most chemical reagents. Their selective oxidations in biosynthetic pathways underscore the power of such reactions for streamlining the synthesis of molecules with complex oxygenation patterns. We report that an iron catalyst can achieve methylene C-H bond oxidations in diverse natural-product settings with predictable and high chemo-, site-, and even diastereoselectivities. Electronic, steric, and stereoelectronic factors, which individually promote selectivity with this catalyst, are demonstrated to be powerful control elements when operating in combination in complex molecules. This small-molecule catalyst displays site selectivities complementary to those attained through enzymatic catalysis.