72230-92-3

Usage

Synonyms

ECIB

Physical state

Clear, colorless liquid

Odor

Fruity

Usage

Flavoring agent in food and beverages

Additional use

Production of fragrances and perfumes

Safety status

Considered safe for use in food

Regulatory approval

Approved by the Food and Drug Administration (FDA) as a synthetic flavoring substance and adjuvant

Precaution

Use with caution and in accordance with safety guidelines to avoid potential harm to human health and the environment.

InChI:InChI=1/C12H18O2/c1-4-12(8-6-5-7-9-12)14-11(13)10(2)3/h1,10H,5-9H2,2-3H3

Upstream product

• 97-72-3 2-Methylpropionic anhydride 
• 78-27-3 1-Ethynylcyclohexan-1-ol 

Downstream Products

• 121130-48-1 Isobutyric acid 1-cyclohexylidene-2-oxo-ethyl ester 

Relevant academic research and scientific papers

Annelated pyridines as highly nucleophilic and Lewis basic catalysts for acylation reactions

New heterocyclic derivatives of 9-azajulolidine have been synthesized and characterized with respect to their nucleophilicity and Lewis basicity. The Lewis basicity of these bases as quantified through their theoretically calculated methyl-cation affinities correlate well with the experimentally measured reaction rates for addition to benzhydryl cations. All newly synthesized pyridines show exceptional catalytic activities in benchmark acylation reactions, which correlate only poorly with Lewis basicity or nucleophilicity parameters. A combination of Lewis basicity with charge and geometric parameters in the framework of a three-component quantitative structure-activity relationship (QSAR) model is, however, highly predictive. Copyright

3,4-diaminopyridine derivatives

3,4-Diaminopyridine derivatives corresponding to a specified formula are produced by (a) reacting 3,4-diaminopyridine with a 1,2-dicarbonyl compound to form a diimine; (b) reducing the diimine to a diamine; and (c) replacing at least a hydrogen atom on nitrogen at position 4 of the pyridine ring. These compounds are useful as catalysts.

Modular design of pyridine-based acyl-transfer catalysts

Derivatives of 3,4-diaminopyridine have been synthesized and studied as catalysts for acyl-transfer reactions. The design of these catalysts is guided by the stability of their acetyl intermediates as determined through theoretical calculations at the B3LYP/6-311 + G(d,p)//B3LYP/6-31G(d) level of theory. The most promising catalysts have been synthesized through a three- to five-step synthesis starting from 3,4-diaminopyridine. The catalytic activity has been determined for the acylation of 1-ethynylcyclohexanol with acetic anhydride at 23°C and with isobutyric anhydride at 40°C. For both reactions, the catalytic activity depends dramatically on the substitution pattern of the diaminopyridines. Best results are obtained with catalysts containing alkyl substituents at both amine nitrogens. Georg Thieme Verlag Stuttgart.