5466-40-0

Basic information

• Product Name: 1-(2-FURYL)HEPTAN-1-ONE
• Synonyms: 1-(2-FURYL)HEPTAN-1-ONE;1-(2-Furyl)heptan-1-one (2-Heptanoylfuran);1-(2-Furyl)-1-heptanone;1-(2-FURYL)HEPTAN-1-ONE 2-HEPTANOYLFURAN;1-furan-2-ylheptan-1-one
• CAS NO: 5466-40-0
• Molecular Formula: C11H16O2
• Molecular Weight: 180.24
• Mol File: 5466-40-0.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 261.7 °C at 760 mmHg
• Flash Point: 114.8 °C
• Appearance: /
• Density: 0.967 g/cm³
• Vapor Pressure: 0.0114mmHg at 25°C
• Refractive Index: 1.4855
• CAS DataBase Reference: 1-(2-FURYL)HEPTAN-1-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-FURYL)HEPTAN-1-ONE(5466-40-0)
• EPA Substance Registry System: 1-(2-FURYL)HEPTAN-1-ONE(5466-40-0)

Safety Data

• Hazardous Substances Data: 5466-40-0(Hazardous Substances Data)

Usage

General Description

1-(2-Furyl)heptan-1-one, also known as coffee ketone, is a chemical compound found in the aroma of many foods, including coffee, roasted peanuts, and cocoa. It is a flavoring agent used in the food and beverage industry to enhance the taste and aroma of various products. 1-(2-FURYL)HEPTAN-1-ONE has a sweet, nutty, and slightly burnt odor, which adds depth and complexity to the overall flavor profile. It is considered safe for consumption in small amounts and is commonly used in the formulation of coffee and nut-flavored products. Additionally, 1-(2-furyl)heptan-1-one is used in the production of cosmetics, perfumes, and other aromatic products for its pleasant scent. Overall, this chemical compound plays a crucial role in enhancing the sensory experience of various consumer goods.

InChI:InChI=1/C11H16O2/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-5,7H2,1H3

Upstream product

• 110-00-9 furan 
• 67132-63-2 Se-methyl heptaneselenoate 
• 22721-97-7 (+/-)-1-(2-furyl)heptan-1-ol 
• 592-41-6 1-hexene 
• 111-14-8 oenanthic acid 
• 4124-30-5 dichloroacetic anhydride 
• 541-88-8 Chloroacetic anhydride 

Relevant articles and documents

The palladium-catalyzed aerobic kinetic resolution of secondary alcohols: Reaction development, scope, and applications

The first palladium-catalyzed enantioselective oxidation of secondary alcohols has been developed, utilizing the readily available diamine (-)-sparteine as a chiral ligand and molecular oxygen as the stoichiometric oxidant. Mechanistic insights regarding the role of the base and hydrogen-bond donors have resulted in several improvements to the original system. Namely, addition of cesium carbonate and tert-butyl alcohol greatly enhances reaction rates, promoting rapid resolutions. The use of chloroform as solvent allows the use of ambient air as the terminal oxidant at 23°C, resulting in enhanced catalyst selectivity. These improved reaction conditions have permitted the successful kinetic resolution of benzylic, allylic, and cyclopropyl secondary alcohols to high enantiomeric excess with good-toexcellent selectivity factors. This catalyst system has also been applied to the desymmetrization of meso-diols, providing high yields of enantioenriched hydroxyketones.

Synthesis of 3-Alkylcatechols via Intramolecular Cyclization

The intramolecular cyclization of 2-alkanoyl-2,5-dimethoxytetrahydrofurans 4 with aqueous acid is described. 3-Alkylcatechols 7 were prepared in generally good yields by boiling the dioxane solution of compounds 4 in the presence of 1 M hydrochloric acid.In addition, 4,5-dioxoalkanals 6 were obtained in good to high yields when the dioxane solution of compounds 4 was treated with 0.1 M hydrochloric acid.

DIMETHYLALUMINIUM METHANESELENOLATE - A USEFUL REAGENT FOR THE PREPARATION OF SELENOESTERS. A NEW FRIEDEL-CRAFTS ACYLATION PROCEDURE PROMOTED BY Cu(I)

The preparation of a new aluminium reagent, dimethylaluminium methaneselenolate (Me2AlSeMe) is described.The reactivity of this aluminium reagent toward a variety of organic substrates has been studied.Me2AlSeMe will convert O-alkyl esters to selenoesters in high yield.These selenoesters function as extremely reactive acyl transfer agents and are converted to acids, esters, and amides on reaction with water, alcohols or amines in the presence of a selenophilic metal cation.The selenoesters will, moreover, acylate reactive arenes and heterocyclic compounds when cuprous triflate is employed as the selenophilic metal cation.This latter transformation constitutes a new transition metal promoted variant of the Friedel-Crafts acylation reaction.