51688-56-3

Basic information

• Product Name: Ethyl 2-nonylacetoacetate
• Synonyms: ETHYL 2-NONYLACETOACETATE;2-Acetylundecanoic acid ethyl ester
• CAS NO: 51688-56-3
• Molecular Formula: C15H28O3
• Molecular Weight: 256.38
• Mol File: 51688-56-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 292 °C
• Flash Point: 119 °C
• Appearance: /
• Density: 0.925
• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.442
• PKA: 11.79±0.59(Predicted)
• CAS DataBase Reference: Ethyl 2-nonylacetoacetate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl 2-nonylacetoacetate(51688-56-3)
• EPA Substance Registry System: Ethyl 2-nonylacetoacetate(51688-56-3)

Safety Data

• Hazardous Substances Data: 51688-56-3(Hazardous Substances Data)

Usage

General Description

Ethyl 2-nonylacetoacetate is a chemical compound with the molecular formula C14H24O3. It is a clear, colorless liquid with a fruity odor and is commonly used in the fragrance and flavor industry. Ethyl 2-nonylacetoacetate is often used as a flavoring agent in food and beverages, as well as in the production of perfumes and other scented products. It is also used as a solvent and as an intermediate in the synthesis of organic compounds. The compound is known for its pleasant, fruity aroma and is considered safe for use in consumer products when used in accordance with regulations.

InChI:InChI=1/C15H28O3/c1-4-6-7-8-9-10-11-12-14(13(3)16)15(17)18-5-2/h14H,4-12H2,1-3H3

Upstream product

• 141-97-9 ethyl acetoacetate 
• 143-08-8 nonyl alcohol 
• 693-58-3 1-Bromononane 
• 4282-42-2 1-iodononane 

Downstream Products

• 36970-36-2 2-Methyl-3-n-nonyl-4(1H)-chinolon 
• 113081-88-2 2-acetylundecanoic acid methyl ester 

Relevant articles and documents

Synthesis and characterization of anaerobic degradation biomarkers of n-alkanes via hydroxylation/carboxylation pathways

Metabolite profiling is a powerful method in research on anaerobic biodegradation of hydrocarbons. Hydroxylation and carboxylation are proposed pathways in anaerobic degradation but very little direct evidence is available about metabolites and signature biomarkers. 2-Acetylalkanoic acid is a potential signature metabolite because of its unique and specific structure among possible intermediates. A procedure for the synthesis of four homologues with various carbon chain lengths was proposed and the characteristics of 2-acetyl-alkanoic acid esters were investigated using four derivatization processes, namely methyl, ethyl, n-butyl and trimethylsilyl esterification. Four intermediate fragments observed were at m/z 73 + 14n, 87 + 14n, 102 + 14n (n = 1, 2 and 4 for methyl, ethyl and n-butyl ester, respectively) and [M - 42]+ for three of the derivatization methods. For silylation, characteristic ions were observed at m/z 73, 117, [M - 42]+ and [M - 55]+ . These are basic and significant data for the future identification of potential intermediates of the hydroxylation and carboxylation pathways in hydrocarbon degradation.

Endochin optimization: Structure-activity and structure-property relationship studies of 3-substituted 2-Methyl-4(1 H)-quinolones with antimalarial activity

Since the 1940s endochin and analogues thereof were known to be causal prophylactic and potent erythrocytic stage agents in avian models. Preliminary screening in a current in vitro assay identified several 4(1H)-quinolones with nanomolar EC50 against erythrocytic stages of multidrug resistant W2 and TM90-C2B isolates of Plasmodium falciparum. Follow-up structure-activity relationship (SAR) studies on 4(1H)-quinolone analogues identified several key features for biological activity. Nevertheless, structure-property relationship (SPR) studies conducted in parallel revealed that 4(1H)-quinolone analogues are limited by poor solubilities and rapid microsomal degradations. To improve the overall efficacy, multiple 4(1H)-quinolone series with varying substituents on the benzenoid quinolone ring and/or the 3-position were synthesized and tested for in vitro antimalarial activity. Several structurally diverse 6-chloro-2-methyl-7-methoxy-4(1H)-quinolones with EC50 in the low nanomolar range against the clinically relevant isolates W2 and TM90-C2B were identified with improved physicochemical properties while maintaining little to no cross-resistance with atovaquone.