6299-66-7

Basic information

• Product Name: Hexanoic acid, 4-ethyl-
• Synonyms: Hexanoic acid, 4-ethyl-;NSC 44869
• CAS NO: 6299-66-7
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 144.21144
• Mol File: 6299-66-7.mol

Chemical Properties

• Boiling Point: 228.91°C (estimate)
• Flash Point: 116.6 °C
• Appearance: /
• Density: 0.9173 (rough estimate)
• Vapor Pressure: 0.0182mmHg at 25°C
• Refractive Index: 1.4128 (estimate)
• CAS DataBase Reference: Hexanoic acid, 4-ethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Hexanoic acid, 4-ethyl-(6299-66-7)
• EPA Substance Registry System: Hexanoic acid, 4-ethyl-(6299-66-7)

Safety Data

• Hazardous Substances Data: 6299-66-7(Hazardous Substances Data)

Usage

Uses

Used in Flavor and Fragrance Industry:
Hexanoic acid, 4-ethylis used as a flavoring agent for its characteristic odor, enhancing the taste and aroma of various food products.
Used in Pharmaceutical Industry:
Hexanoic acid, 4-ethylis used in the production of pharmaceuticals, serving as a key ingredient in the formulation of certain medications.
Used in Cosmetics and Skincare Industry:
Hexanoic acid, 4-ethylis utilized as a preservative in skincare and cosmetic products due to its antimicrobial properties, helping to maintain product integrity and prevent spoilage.
Used in Chemical Synthesis:
As a precursor in the synthesis of other organic compounds, Hexanoic acid, 4-ethylplays a crucial role in the production of various chemical products.

InChI:InChI=1/C8H16O2/c1-3-7(4-2)5-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

Upstream product

• 855906-25-1 4-vinyl-hexa-3,5-dienoic acid 
• 55665-80-0 4-Ethyl-hex-3-enoic acid 
• 100340-03-2 C₁₆H₂₂O₃ 
• 96-22-0 pentan-3-one 
• 53378-75-9 3-(2-hydroxyethyl)pentane-1,5-diol 
• 26456-63-3 3-vinylpenta-1,4-diene 
• 87986-82-1 tris(2-acetoxyethyl)methane 
• 616-20-6 3-chloropentane 
• 584-02-1 2-pentanol 
• 2979-87-5 methyl 4-ethylhexanoate 
• 73908-04-0 triethylcarbinyl bromide 
• 124-38-9 carbon dioxide 
• 37549-80-7 ethyl 4-ethyl-2-hexenoate 
• 97-96-1 2-Ethylbutyraldehyde 

Downstream Products

• 88-09-5 2-Ethylbutanoic acid 

Relevant articles and documents

CATALYTIC CARBOXYLATION OF ACTIVATED ALKANES AND/OR OLEFINS

The present invention relates to a method of reacting starting materials with an activating group, namely alkanes carrying a leaving group and/or olefins, with carbon dioxide under transition metal catalysis to give carboxyl group-containing products. It is a special feature of the method of the present invention that the carboxylation predominantly takes place at a preferred position of the molecule irrespective of the position of the activating group. The carboxylation position is either an aliphatic terminus of the molecule or it is a carbon atom adjacent to a carbon carrying an electron withdrawing group. The course of the reaction can be controlled by appropriately choosing the reaction conditions to yield the desired regioisomer.

Remote carboxylation of halogenated aliphatic hydrocarbons with carbon dioxide

Catalytic carbon-carbon bond formation has enabled the streamlining of synthetic routes when assembling complex molecules. It is particularly important when incorporating saturated hydrocarbons, which are common motifs in petrochemicals and biologically relevant molecules. However, cross-coupling methods that involve alkyl electrophiles result in catalytic bond formation only at specific and previously functionalized sites. Here we describe a catalytic method that is capable of promoting carboxylation reactions at remote and unfunctionalized aliphatic sites with carbon dioxide at atmospheric pressure. The reaction occurs via selective migration of the catalyst along the hydrocarbon side-chain with excellent regio- and chemoselectivity, representing a remarkable reactivity relay when compared with classical cross-coupling reactions. Our results demonstrate that site-selectivity can be switched and controlled, enabling the functionalization of less-reactive positions in the presence of a priori more reactive ones. Furthermore, we show that raw materials obtained in bulk from petroleum processing, such as alkanes and unrefined mixtures of olefins, can be used as substrates. This offers an opportunity to integrate a catalytic platform en route to valuable fatty acids by transforming petroleum-derived feedstocks directly.

AMIDE COMPOUND AND MEDICINAL USE THEREOF

A compound of formula [I-W]: wherein each symbol is as defined in the description, or a pharmaceutically acceptable salt thereof.

A facile synthesis of racemic 4-ethyl fatty acids

The synthesis of racemic 4-ethyl fatty acids is reported. A Grignard reagent was first prepared by 3-chloroalkane reacting with magnesium and then 4-ethyl fatty acid methyl esters were synthesised by coupling the Grignard reagent with methyl 3-bromopropionate in the presence of the catalyst Li 2CuCl4. The 4-ethyl fatty acid methyl esters were saponified and then acidified to give the 4-ethyl fatty acids. The syntheses of 4-ethylhexanoic acid, 4-ethylheptanoic acid, 4-ethyloctanoic acid, 4-ethylnonaoic acid and 4-ethyl decanoic acid are described. The structures of the 4-ethyl fatty acid methyl esters and 4-ethyl fatty acids were confirmed by 1H NMR, 13C NMR and HRMS.

PYRIDAZINONE GLUCOKINASE ACTIVATORS

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of metabolic diseases and disorders such as, for example, type II diabetes mellitus.

LITHIATED CYCLOPROPANONE KETALS

The ketene acetal I reacted with dibromocarbene yielding the dibromocyclopropanone ketal II, which was reduced to the monobromide III by treatment with tri-n-butyltin hydride.Reaction of III with n-butyllithium at -78 degC yielded the lithiated cyclopropanone ketal IV, which yielded adducts with acetone, cyclohexanone, cyclohexenone, 3,3,3-trimethoxybutan-2-one, and 3-pentanone.