13984-57-1 | Hexanoic acid, 5-oxo-, ethyl ester

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$8.00	$6.00
10g	98%	in stock	$13.00	$10.00
25g	98%	in stock	$22.00	$16.00
100g	98%	in stock	$70.00	$49.00

Description

• Catalog Number: AA61681
• Chemical Name: Hexanoic acid, 5-oxo-, ethyl ester
• CAS Number: 13984-57-1
• Molecular Formula: C8H14O3
• Molecular Weight: 158.195
• MDL Number: MFCD00009213
• SMILES: CCOC(=O)CCCC(=O)C

Computed Properties

• Complexity: 140
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• XLogP3: 0.4

Upstream Synthesis Route

In chemical synthesis, Ethyl 4-acetylbutyrate, also known as ethyl acetoacetate, serves as a versatile compound with a wide range of applications. It is commonly used as a key intermediate in the production of various pharmaceuticals, agrochemicals, and fragrances. Its unique chemical properties make it a valuable building block in the synthesis of complex organic molecules. Additionally, Ethyl 4-acetylbutyrate is utilized in the preparation of flavoring agents and aroma chemicals due to its fruity, apple-like scent. Its ability to undergo various reactions, such as condensation, esterification, and nucleophilic additions, makes it a crucial component in the creation of a diverse array of products.

Literature

• Yeast cell factories for fine chemical and API production.

  Microbial cell factories 20080101