13088-50-1

Basic information

• Product Name: Ethyl 2-oxoheptanoate
• Synonyms: 2-Ketoenanthic acid ethyl ester;2-Oxoheptanoic acid ethyl ester;2-Oxyheptanoic acid ethyl ester;Ethyl 2-oxoheptanoate
• CAS NO: 13088-50-1
• Molecular Formula: C9H16O3
• Molecular Weight: 172.2215
• Mol File: 13088-50-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 232℃
• Flash Point: 91℃
• Appearance: /
• Density: 0.969
• CAS DataBase Reference: Ethyl 2-oxoheptanoate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl 2-oxoheptanoate(13088-50-1)
• EPA Substance Registry System: Ethyl 2-oxoheptanoate(13088-50-1)

Safety Data

• Hazardous Substances Data: 13088-50-1(Hazardous Substances Data)

Usage

General Description

Ethyl 2-oxoheptanoate is an organic compound with the chemical formula C9H16O3. It is a colorless liquid with a fruity, pineapple-like odor and is commonly used as a flavor and fragrance ingredient in the food and beverage industry. Ethyl 2-oxoheptanoate is also used in the production of perfumes and as a solvent in various industrial processes. It is considered a low-toxicity compound and is generally regarded as safe for use in food and cosmetic products. Its unique fruity aroma makes it a popular choice for adding a sweet, tropical note to a wide range of products.

Upstream product

• 693-25-4 n-pentylmagnesium bromide 
• 4755-77-5 Ethyl oxalyl chloride 
• 87378-94-7 diethyl 2-butyl-3-oxosuccinate 
• 123-66-0 Ethyl hexanoate 
• 95-92-1 oxalic acid diethyl ester 
• 64-17-5 ethanol 
• 13088-48-7 2-oxoheptanoic acid 
• 4558-31-0 1-ethoxy-hept-1-yne 

Downstream Products

• 78843-64-8 (2R)-heptane-1,2-diol 
• 956155-26-3 pentanedicarbonyl chloride 
• 13088-48-7 2-oxoheptanoic acid 

Relevant articles and documents

Organocatalytic asymmetric transferhydrogenation of β-nitroacrylates: Accessing β2-amino acids

We describe a highly efficient and enantioselective Hantzsch ester mediated conjugate reduction of β-nitroacrylates that is catalyzed by a Jacobsen thiourea catalyst as a key step in a new route to optically active β2-amino acids. Copyright

Investigation on the regioselectivities of intramolecular oxidation of unactivated C-H bonds by dioxiranes generated in Situ

We found that dioxiranes generated in situ from ketones 1-6 and Oxone underwent intramolecular oxidation of unactivated C-H bonds at δ sites of ketones to yield tetrahydropyrans. From the trans/cis ratio of oxidation products 1a and 2a as well as the retention of the configuration at the δ site of ketone 5, we proposed that the oxidation reaction proceeds through a concerted pathway under a spiro transition state. The intramolecular oxidation of ketone 6 showed the preference for a tertiary δ C-H bond over a secondary one. This intramolecular oxidation method can be extended to the oxidation of the tertiary γ′ C-H bond of ketones 9 and 10. For ketone 11 with two δ C-H bonds and one γ′ C-H bond linked respectively by a sp3 hydrocarbon tether and a sp2 ester tether, the oxidation took place exclusively at the δ C-H bonds. Finally, by introducing proper tethers, regioselective hydroxylation of steroid ketones 12-14 have been achieved at the C-17, C-16, C-3, and C-5 positions.

Synthesis of Enantiomers of 1,2-Heptanediol

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