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2-Methylbutyl hexanoate

2-Methylbutyl hexanoate structure

2-Methylbutyl hexanoate 

structure
  • CAS No:

    2601-13-0

  • Formula:

    C11H22O2

  • Chemical Name:

    2-Methylbutyl hexanoate

  • Synonyms:

    Hexanoic acid,2-methylbutyl ester;2-Methylbutyl hexanoate

Description

2-Methylbutyl Hexanoate is an organic compound belonging to the esters family with the specific formula C12H24O2. This compound belongs specifically to the caproate class of esters. Its chemical structure is derived from 2-methylbutanol-1. In chemical reactions, 2-Methylbutyl Hexanoate is formed by the binding reaction of 2-methylbutanol with caproic acid. Typically, this compound appears in a colorless to yellowish liquid state and gives off a pleasant fruity or floral odor. In the fragrance and flavor industry, 2-Methylbutyl Hexanoate plays an important role and is widely used in various products due to its unique aroma properties. It is not only able to provide a natural fruity or floral aroma, but also has good solubility, making it easy to mix with other ingredients in the recipe. This ester has a molecular weight of 186.29100 and a precise mass of 186.29. In addition, it is registered with the European Chemicals Agency under the number 220-005-3 and the customs code 2915900090, information that helps to identify and manage it in international trade.

2-Methylbutyl hexanoate Basic Attributes

186.29100

186.29

220-005-3

2915900090

Characteristics

26.30000

3.15600

0.87 g/cm3

214.2ºC at 760 mmHg

82.9ºC

1.425

Safety Information

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

H226

Not Classified

2-Methylbutyl hexanoate Use and Manufacturing

Uses

2-Methylbutyl Hexanoate is a compound widely used in the food and beverage industry, primarily as a flavoring agent and flavor additive. It can significantly enhance the aroma and flavor of the product and enhance the taste experience of the consumer. This compound is used in a wide range of food and beverage applications, including but not limited to a variety of soft drinks, confectionery, baked goods, and condiments. In addition to its application in the food and beverage industry, 2-Methylbutyl Hexanoate is also widely used in cosmetics and personal care products. As a spice ingredient, it can give the product a unique aroma and enhance the attractiveness of the product. At the same time, it can also be used as a solvent to help other ingredients dissolve and disperse better, thereby improving the use of products and user experience. Due to its unique aroma properties, 2-Methylbutyl Hexanoate is also widely used in the manufacture of perfumes and aromatic products. It is able to provide a fresh and long-lasting aroma, making perfumes and aromatic products more attractive and competitive in the market. On the manufacturing side, the production process of 2-Methylbutyl Hexanoate usually involves the esterification of adipic acid and 2-methylbutanol. Through this chemical reaction, 2-Methylbutyl Hexanoate with specific aroma properties can be obtained. In terms of use classification, it belongs to the category of flavoring agents in food additives, and it also belongs to fatty acid esters, specifically wax monoesters. These classifications help to better understand and manage this compound during production and application.

Hexanoic acid, 2-methylbutyl ester: ACTIVE

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Flavoring Agents

Computed Properties

Molecular Weight:186.29
XLogP3:3.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:186.161979940
Monoisotopic Mass:186.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:132
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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