2308-18-1

Basic information

• Product Name: ACETOACETIC ACID ISOAMYL ESTER
• Synonyms: ACETOACETIC ACID ISOAMYL ESTER;ISOAMYL ACETOACETATE;ISOPENTYL ACETOACETATE;3-oxo-butanoicaci3-methylbutylester;Butanoic acid, 3-oxo-, 3-methylbutyl ester;Isopentyl 3-oxobutanoate;3-Oxobutanoic acid 3-methylbutyl ester;Acetoacetic acid 3-methylbutyl ester
• CAS NO: 2308-18-1
• Molecular Formula: C₉H₁₆O₃
• Molecular Weight: 172.22
• EINECS: 218-991-5
• Mol File: 2308-18-1.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 218°C
• Flash Point: 101°C
• Appearance: Colorless liquid with fruitee
• Density: 0,97 g/cm3
• Refractive Index: n20/D 1.429(lit.)
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility: Chloroform (Slightly), DMSO (Slightly)
• PKA: 10.67±0.46(Predicted)
• CAS DataBase Reference: ACETOACETIC ACID ISOAMYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: ACETOACETIC ACID ISOAMYL ESTER(2308-18-1)
• EPA Substance Registry System: ACETOACETIC ACID ISOAMYL ESTER(2308-18-1)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 2308-18-1(Hazardous Substances Data)

Usage

Description

ACETOACETIC ACID ISOAMYL ESTER, also known as Isoamyl acetoacetate, is a synthetic flavoring agent characterized by its ethereal, sweet, winy odor and green-apple flavor. It is a stable, colorless liquid with a light green leaf-fruity odor, and should be stored in glass or tin containers to maintain its quality.

Uses

Used in Food and Beverage Industry:
ACETOACETIC ACID ISOAMYL ESTER is used as a flavoring agent for imparting a green-apple flavor and light green leaf-fruity aroma to various food and beverage products. It is particularly used in currant and berry flavors for applications in beverages, candy, and ice cream at concentrations ranging from 5–15 ppm.
This synthetic flavoring agent is valued for its ability to enhance the taste and aroma of food products, providing a refreshing and fruity note that appeals to consumers. Its stability and compatibility with other ingredients make it a versatile option for use in a wide range of food and beverage applications.

Preparation

By transesterification of ethyl acetylacetate with isoamyl alcohol in the presence of sodium.

Upstream product

• 674-82-8 4-methyleneoxetan-2-one 
• 123-51-3 i-Amyl alcohol 
• 123-92-2 3-methyl-1-butyl acetate 
• 141-97-9 ethyl acetoacetate 
• 19533-24-5 sodium isopentoxide 
• 2343-88-6 Acetoacetylfluorid 
• 2911-21-9 2,4-dioxo-6-methyl-3,4-dihydro-2H-1,3-oxazine 
• 10128-60-6 3,6-dimethyl-2H-1,3-oxazine-2,4(3H)-dione 
• 10128-99-1 3-benzyl-6-methyl-[1,3]oxazine-2,4-dione 
• 105-45-3 acetoacetic acid methyl ester 

Downstream Products

• 491851-32-2 Isoamyl-alpha-acetyl-3-methoxy-4-hydroxy-5-isopropyl-cinnamate 
• 147597-20-4 2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-(2-cyano-ethyl) ester 5-(3-methyl-butyl) ester 
• 147597-27-1 2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid mono-(3-methyl-butyl) ester 
• 114915-08-1 4-(2-Difluoromethoxy-phenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 3-methyl-butyl ester 
• 114915-09-2 4-(2-Difluoromethoxy-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 3-methyl-butyl ester 
• 110525-42-3 4-(2-Difluoromethylsulfanyl-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid bis-(3-methyl-butyl) ester 
• 520-45-6 Dehydracetic acid 

Relevant articles and documents

BF3OEt2: An efficient catalyst for transesterification of β-ketoesters

A facile and selective transesterification of β-ketoesters using BF3OEt2 as catalyst is described. The emphasis has been placed on the reaction of methyl acetoacetate with a series of alcohols of different structures, leading in all cases to good to excellent yields.

Oxygen-nucleophile-induced Ring-cleavage Reactions of 6-Methyl-1,3-oxazine-2,4(3H)-diones

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