5921-82-4

Basic information

• Product Name: 1-methylhexyl acetate
• Synonyms: 1-methylhexyl acetate;2-Heptylacetate;2-Heptanol, acetate;SEC-HEPTYLACETATE;Acetic acid heptan-2-yl ester;Heptan-2-yl acetate;Ai3-33695;Einecs 227-647-3
• CAS NO: 5921-82-4
• Molecular Formula: C₉H₁₈O₂
• Molecular Weight: 158.23802
• EINECS: 227-647-3
• Mol File: 5921-82-4.mol
• Article Data: 21

Chemical Properties

• Melting Point: -50.2°C (estimate)
• Boiling Point: 183.34°C (estimate)
• Flash Point: 59.4°C
• Appearance: /
• Density: 0.8809 (estimate)
• Vapor Pressure: 1.09mmHg at 25°C
• Refractive Index: 1.4039 (estimate)
• CAS DataBase Reference: 1-methylhexyl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methylhexyl acetate(5921-82-4)
• EPA Substance Registry System: 1-methylhexyl acetate(5921-82-4)

Safety Data

• Hazardous Substances Data: 5921-82-4(Hazardous Substances Data)

Usage

Description

1-methylhexyl acetate, also known as 2-hexyl acetate, is an organic compound that belongs to the ester class. It is characterized by a fruity and floral scent, making it a popular ingredient in the fragrance industry. 1-methylhexyl acetate is derived from the reaction between 1-methylhexanol and acetic acid, and it possesses a molecular weight of approximately 130 g/mol.

Uses

Used in Fragrance Industry:
1-methylhexyl acetate is used as a fragrance ingredient for its pleasant and long-lasting fruity and floral scent. It is commonly added to perfumes, colognes, and other scented products to provide a fresh and appealing aroma.
Used in Flavor Industry:
In the flavor industry, 1-methylhexyl acetate is used as an additive to enhance the taste and aroma of various food and beverage products. Its fruity and floral notes contribute to a more complex and enjoyable flavor profile.
Used in Cosmetics Industry:
1-methylhexyl acetate is also utilized in the cosmetics industry, where it serves as a solvent and fixative for various cosmetic products. Its ability to dissolve and stabilize other ingredients makes it a valuable component in the formulation of creams, lotions, and other personal care products.
Used in Cocoa Bean Fermentation:
As mentioned in the provided materials, 1-methylhexyl acetate is used in the co-culturing of fructophilic lactic acid bacteria and yeast, such as L. plantarum and P. fermentans, to enhance sugar metabolism and aroma formation during cocoa beans fermentation. This application contributes to the development of a richer and more complex flavor in the final chocolate product.

InChI:InChI=1/C9H18O2/c1-4-5-6-7-8(2)11-9(3)10/h8H,4-7H2,1-3H3

Upstream product

• 52390-72-4 2-Heptanol 
• 108-24-7 acetic anhydride 
• 592-76-7 1-Heptene 
• 64-19-7 acetic acid 
• 142-82-5 n-heptane 
• 546-67-8 lead(IV) tetraacetate 
• 123-82-0 2-heptylamine 
• 7601-90-3 perchloric acid 
• 762-46-9 1-methylhexyl-hydroperoxide 
• 53690-75-8 Me(CH₂)4CH(OSiMe₃)Me 
• 141-78-6 ethyl acetate 
• 75-36-5 acetyl chloride 
• 108-05-4 vinyl acetate 
• 110-43-0 n-pentyl methyl ketone 

Downstream Products

• 592-76-7 1-Heptene 
• 14686-13-6 (E)-hept-2-ene 
• 52390-72-4 2-Heptanol 
• 110-43-0 n-pentyl methyl ketone 
• 6033-24-5 (R)-2-heptanol 
• 64-17-5 ethanol 

Relevant articles and documents

Ethyl acetate as an acetyl surrogate for the iodine catalyzed acetylation of alcohols

The use of readily available ethyl acetate in the presence of iodine as an alternative acetylating agent is reported. Amines and phenols were unreactive under the examined reaction conditions, indicating that the method is highly chemoselective.

Fractional distribution of graphene oxide and its potential as an efficient and reusable solid catalyst for esterification reactions

Graphene oxide (GrO) prepared by the Hummers method was separated into three different fractions (GrO5000, GrO2000, and GrOres) on the basis of their dispersion stability in the water. Infrared, nuclear magnetic resonance, X-ray photoelectron spectroscopy, and elemental analyses revealed that GrO5000 possesses a high degree of oxygen functionalities including phenolic, carboxylic, and -OSO2H groups, compared with the other fractions. The GrO5000 was found to be a highly efficient and reusable solid catalyst for the esterification of various carboxylic acids with a variety of alcohols to furnish corresponding esters in high to excellent yields. The catalytic activity of the GrO5000 was attributed to the ability of highly polar GrO5000 scaffold to adsorb/attract reactants, where the acid functionalities of GrO5000 facilitated the esterification process efficiently. The chemical and structural features of GrO5000 were discussed to understand the improved catalytic activity compared with GrO2000 and conventional solid acid catalysts.

Solvent-free acetylation and tetrahydropyranylation of alcohols catalyzed by recyclable sulfonated ordered nanostructured carbon

Rapid and practical green acetylation and tetrahydropyranylation routes of structurally diverse alcohols and phenols were applied under solvent-free reaction conditions providing excellent yields, using catalytic amounts of environmentally friendly sulfonated ordered nanoporous carbon (CMK-5-SO 3H). Non-toxic nature of the catalyst, its easy handling, recovery and reusability, and the absence of any solvent characterize the presented procedures as efficient methods. These procedures provide methods for the separation of the product by simple filtration.