2349-07-7

Basic information

• Product Name: Hexyl isobutyrate
• Synonyms: HEXYL ISOBUTYRATE;HEXYL 2-METHYLPROPANOATE;FEMA 3172;HEXYL ISOBUTYRATE, NATURAL;1-Hexanol isobutyrate;2-Methylpropionic acid hexyl ester;Hexyl isobutyrate >=99.0%;exyl isobutyrate
• CAS NO: 2349-07-7
• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 172.26
• EINECS: 219-075-8
• Product Categories: Alphabetical Listings;Flavors and Fragrances;G-H
• Mol File: 2349-07-7.mol

Chemical Properties

• Melting Point: -78°C (estimate)
• Boiling Point: 202.6°C (estimate)
• Flash Point: 164 °F
• Appearance: Colorless liquid with fresh apple-pineapple like odor
• Density: 0.86 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.413mmHg at 25°C
• Refractive Index: n20/D 1.413(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility: 58.21mg/L at 20℃
• CAS DataBase Reference: Hexyl isobutyrate(CAS DataBase Reference)
• NIST Chemistry Reference: Hexyl isobutyrate(2349-07-7)
• EPA Substance Registry System: Hexyl isobutyrate(2349-07-7)

Safety Data

• WGK Germany: 2
• RTECS: NQ4695000
• Hazardous Substances Data: 2349-07-7(Hazardous Substances Data)

Usage

Uses

Used in Flavor and Fragrance Industry:
Hexyl isobutyrate is used as a flavoring agent for its green, sweet, fruity, appleand pear-like aroma with banana and melon nuances. It is particularly suitable for enhancing the taste and scent of various food and beverage products.
Used in Perfumery:
Hexyl isobutyrate is used as a fragrance ingredient in the perfumery industry, where its powerful and somewhat harsh fruity aroma can contribute to the overall scent profile of perfumes, colognes, and other fragrance products.
Used in the Beverage Industry:
Hexyl isobutyrate is used as a flavor enhancer in the beverage industry, particularly for alcoholic drinks such as beer, wine, and sherry. Its fruity and sweet aroma can help to create a more complex and appealing taste experience for consumers.
Used in the Cosmetic Industry:
Hexyl isobutyrate is used as a fragrance ingredient in the cosmetic industry, where it can be added to various personal care products such as lotions, creams, and shampoos to provide a pleasant and long-lasting scent.
Used in the Pharmaceutical Industry:
Hexyl isobutyrate may be used as a flavoring agent in the pharmaceutical industry to improve the taste of certain medications, making them more palatable for patients.

Preparation

By direct esterification of n-hexanol with isobutyric in sherry

Flammability and Explosibility

Notclassified

InChI:InChI=1/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3

Upstream product

• 79-31-2 isobutyric Acid 
• 111-27-3 hexan-1-ol 
• 142-09-6 2-methyl-2-propenoic acid, hexyl ester 
• 940391-44-6 N-phenyl-N-tosylisobutyramide 

Downstream Products

• 17627-41-7 methyl-3 butene-2 oate de n-hexyle 

Relevant articles and documents

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A series of mesoporous silica-based catalysts with finely-tuned surface wettability have been synthesized, of which the catalysis efficiency towards aqueous hydrogenations is highly dependent on their surface wettability and can be five times higher than that of the commercial Pd/C catalyst. This journal is the Partner Organisations 2014.

Fluoride-Catalyzed Esterification of Amides

In recent years, it has been demonstrated that amide carbon–nitrogen bonds can be activated and selectively cleaved using transition metal catalysts. However, these methodologies have been restricted to specific amides; a one-to-one relationship exists between the catalytic system and the amides and also uses large amounts of transition-metal catalysts and ligands. Hence, we now report a general strategy for esterification of common amides using fluoride as a catalyst. This method shows high functional group tolerance, and notably it requires only a slight excess of the alcohol nucleophile, which is a rare case in transition-metal-free amide transformations. Moreover, this approach may provide a new understanding for further studies on esterification of amides and is expected to stimulate the development of alternative methods for direct functionalization of amides.

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An attempt has been made to correlate the carbon chain lengths of acids and alcohols to the extent of esterification in the Rhizomucor miehei lipase catalyzed esterification reactions involving acids of carbon chain length C2-C5 and alcohols of carbon chain length C1-C8.