7391-39-1

Basic information

• Product Name: ethyl 2-cyanohexanoate
• Synonyms: Ethyl-n-butylcyanoacetate;2-Cyanohexanoic acid ethyl ester;Ai3-04910;Einecs 230-978-6;Hexanoic acid, 2-cyano-, ethyl ester;ETHYL ALPHA-BUTYLCYANOACETATE
• CAS NO: 7391-39-1
• Molecular Formula: C₉H₁₅NO₂
• Molecular Weight: 170.22884
• EINECS: 230-978-6
• Mol File: 7391-39-1.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 298.52°C (rough estimate)
• Flash Point: 93.5°C
• Appearance: /
• Density: 0.9537
• Vapor Pressure: 0.114mmHg at 25°C
• Refractive Index: 1.4248
• CAS DataBase Reference: ethyl 2-cyanohexanoate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 2-cyanohexanoate(7391-39-1)
• EPA Substance Registry System: ethyl 2-cyanohexanoate(7391-39-1)

Safety Data

• Hazardous Substances Data: 7391-39-1(Hazardous Substances Data)

Usage

General Description

Ethyl 2-cyanohexanoate, also known as ethyl 2-cyanovalerate, is a chemical compound with the molecular formula C9H15NO2. It is classified as an ester, with a characteristic fruity odor, and is commonly used as a flavoring agent in the food industry. It is also used in the synthesis of pharmaceuticals and as a chemical intermediate in organic chemistry. Ethyl 2-cyanohexanoate is a colorless liquid with a high boiling point, making it useful in various industrial processes. However, it is important to handle this chemical with care, as it can be hazardous if not handled properly.

InChI:InChI=1/C9H15NO2/c1-3-5-6-8(7-10)9(11)12-4-2/h8H,3-6H2,1-2H3

Upstream product

• 123-72-8 butyraldehyde 
• 105-56-6 ethyl 2-cyanoacetate 
• 542-69-8 1-iodo-butane 
• 64-17-5 ethanol 
• 81-88-9 rhodamine B 
• 110-89-4 piperidine 
• 71-36-3 butan-1-ol 
• 75-03-6 ethyl iodide 
• 628-73-9 hexanenitrile 
• 105-58-8 Diethyl carbonate 
• 141-52-6 sodium ethanolate 
• 109-65-9 1-bromo-butane 

Downstream Products

• 855913-27-8 2-cyano-hexanoic acid hydrazide 
• 534-59-8 n-butylmalonic acid 
• 18283-37-9 2-Carbamoyl-2-fluoro-hexanoic acid 
• 1309660-24-9 methyl 4-(1-cyanopentyl)benzoate 
• 132163-25-8 2-(4-methoxyphenyl)hexanenitrile 
• 1309660-36-3 2-(3-nitrophenyl)hexanenitrile 
• 3508-98-3 1-Cyano-1-phenylpentan 
• 2124-74-5 α-Butyl-4-chlorbenzylcyanid 
• 1445579-45-2 ethyl 2-cyano-2-(4-methoxyphenyl)hexanoate 
• 1445579-49-6 ethyl 2-cyano-2-(3-methylphenyl)hexanoate 
• 942-92-7 caprophenone 
• 6134-71-0 ethyl 2-butyl-3-oxo-3-phenylpropanoate 
• 66205-41-2 ethyl 2-cyano-2-phenylhexanoate 
• 74479-34-8 2-ethoxycarbonyl-2-(1-nitro-1-cyclohexyl)hexanenitrile 

Relevant articles and documents

Nano-K2CO3: Preparation, characterization and evaluation of reactive activities

A novel base, nano-K2CO3, was easily prepared by ultrafine wet milling. The surface properties and the reactive activities of nano-K2CO3 were characterized. It was found that such a base showed higher basicity than normal K2CO3 and could replace sodium (or potassium) alkoxide to carry out monoalkylation and oximation of active methylene compounds. The nano-K2CO3 could be regenarated and reused 10 times without loss of its reactive activity.

Alkylation of active methylene compounds with alcohols catalyzed by an iridium complex

Base-free catalytic α-alkylation of active methylene compounds with primary alcohols was successfully achieved using an [IrCl(cod)]2 complex in the presence of PPh3 to afford the corresponding saturated α-alkylated products in good yields. The Royal Society of Chemistry.