2445-76-3

Basic information

• Product Name: Hexyl propionate
• Synonyms: 1-Hexyl propionate;1-hexylpropanoate;1-hexylpropionate;Amylbutyrat;Hexyl propanoate;HEXYL PROPIONATE;HEXYL PROPIONATE 97+%;Hexylpropionat
• CAS NO: 2445-76-3
• Molecular Formula: C₉H₁₈O₂
• Molecular Weight: 158.24
• EINECS: 219-495-1
• Product Categories: Alphabetical Listings;Flavors and Fragrances;G-H
• Mol File: 2445-76-3.mol
• Article Data: 17

Chemical Properties

• Melting Point: -57.5°C
• Boiling Point: 73-74 °C10 mm Hg(lit.)
• Flash Point: 149 °F
• Appearance: /
• Density: 0.871 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.557mmHg at 25°C
• Refractive Index: n20/D 1.413(lit.)
• Storage Temp.: 2-8°C
• Water Solubility: 63.1mg/L at 20℃
• CAS DataBase Reference: Hexyl propionate(CAS DataBase Reference)
• NIST Chemistry Reference: Hexyl propionate(2445-76-3)
• EPA Substance Registry System: Hexyl propionate(2445-76-3)

Safety Data

• WGK Germany: 2
• RTECS: UA2462200
• Hazardous Substances Data: 2445-76-3(Hazardous Substances Data)

Usage

Description

Hexyl propionate is a volatile flavor compound that is primarily found in different varieties of apple and also occurs in muskmelon. It has an earthy, acrid odor suggestive of rotting fruits and a sweet, metallic-fruity taste. It can be synthesized by the esterification of n-hexanol with propionic acid and is defined as a propanoate ester of hexan-1-ol.

Uses

Used in Flavor Industry:
Hexyl propionate is used as a flavoring agent for its unique earthy, acrid odor and sweet, metallic-fruity taste. It is commonly used to enhance the flavor of various food products, particularly those with apple or muskmelon notes.
Used in Fragrance Industry:
Hexyl propionate is also used as a component in the fragrance industry, where its distinct odor can contribute to the creation of various scent profiles.
Used in Chemical Synthesis:
Due to its chemical properties, hexyl propionate can be utilized in the synthesis of other compounds, potentially serving as an intermediate in the production of various chemicals and materials.

Preparation

By esterification of n-hexanol with propionic acid

Biochem/physiol Actions

Taste at 10 ppm

InChI:InChI=1/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3

Upstream product

• 111-27-3 hexan-1-ol 
• 925-78-0 3-nonanone 
• 74-85-1 ethene 
• 201230-82-2 carbon monoxide 
• 105-37-3 Ethyl propionate 
• 2499-95-8 n-hexyl acrylate 
• 123-62-6 propionic acid anhydride 
• 557-28-8 zinc(II) propionate 
• 802294-64-0 propionic acid 
• 6151-90-2 dihexyl phosphonate 

Downstream Products

• 4212-43-5 perpropionic acid 
• 802294-64-0 propionic acid 

Relevant articles and documents

Palladium-Catalyzed Direct Dicarbonylation of Amines with Ethylene to Imides

The selective and effective conversion of low-cost and simple bulk chemicals into high value-added products through catalytic strategy has a wide range of practical significance. Here, a palladium-catalyzed method for the direct and efficient dicarbonylation of amines with basic industrial feedstock ethylene to imide has been developed. Moderate to excellent yields of the desired imides can be produced from readily available amines in a straightforward manner.

Cathodic reductive couplings and hydrogenations of alkenes and alkynes catalyzed by the B12 model complex

The reductive coupling and hydrogenation of alkenes were catalyzed by the B12 model complex, heptamethyl cobyrinate perchlorate (1), in the presence of acid during electrolysis at??0.7?V vs. Ag/AgCl in acetonitrile. Conjugated alkenes showed a good reactivity during electrolysis to form reduced products. The product distributions were dependent on the substituents at the C[dbnd]C bond of the alkenes. ESR spin-trapping experiments using 5,5-dimethylpyrroline N-oxide (DMPO) revealed that the cobalt-hydrogen complex (Co–H complex) should be formed during the electrolysis and it functioned as an intermediate for the alkene reduction. The electrolysis was also applied to an alkyne, such as phenylacetylene, to form 2,3-diphenylbutane (racemic and meso) and ethylbenzene via styrene as reductive coupling and hydrogenated products, respectively.

Continuous flow Fischer esterifications harnessing vibrational-coupled thin film fluidics

Rapid Fischer esterification reactions occur under solventless, continuous flow conditions in dynamic thin films. This methodology uses limited catalyst, require no additional heat input and occurs within the confinements of an inexpensive vortex fluidic device (VFD). The associated mechanoenergy is primarily delivered from two types of vibration, which are manifested in sharp increases in the yield of the reactions. These vibrations promote the existence of Faraday waves that alter the instantaneous shear rates of the reactants within the rotating tube. Tuning the rotational speed of the device allows harmonic vibrations to be utilized in the synthesis of alkyl-based esters within both a high and low contact angle NMR tube. This journal is