120-50-3 | Isobutyl benzoate

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$14.00	$10.00
25g	98%	in stock	$28.00	$19.00
100g	98%	in stock	$66.00	$46.00
500g	98%	in stock	$192.00	$135.00

Description

• Catalog Number: AA33526
• Chemical Name: Isobutyl benzoate
• CAS Number: 120-50-3
• Molecular Formula: C11H14O2
• Molecular Weight: 178.2277
• MDL Number: MFCD00048344
• SMILES: CC(COC(=O)c1ccccc1)C
• NSC Number: 6580

Computed Properties

• Complexity: 158
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• XLogP3: 3.6

Upstream Synthesis Route

Isobutyl benzoate is commonly utilized in chemical synthesis as a versatile ester compound. Its structure, comprising of an isobutyl chain and a benzene ring linked by an ester group, imparts unique properties that make it favorable for several synthetic processes. With its characteristic fruity aroma, Isobutyl benzoate is often incorporated as a flavoring agent in various products including food, beverages, and cosmetics. In chemical synthesis, this compound serves as a valuable intermediate in the production of fragrances, pharmaceuticals, and specialty chemicals. Its reactivity and compatibility with different reaction conditions make it an essential building block in organic chemistry, facilitating the creation of diverse molecules with specific functionalities and properties. Isobutyl benzoate's role in chemical synthesis extends to fields such as drug formulation, where it contributes to the development of novel pharmaceutical compounds. Additionally, its usage in the production of fine chemicals underscores its significance in enabling the synthesis of high-value products for various industries.

Literature

• Surfactant properties of ionic liquids containing short alkyl chain imidazolium cations and ibuprofenate anions.

  Physical chemistry chemical physics : PCCP 20110914