13562-76-0

Basic information

• Product Name: ACETOACETIC ACID SEC-BUTYL ESTER
• Synonyms: ACETOACETIC ACID SEC-BUTYL ESTER;SEC-BUTYL ACETOACETATE;(R,S)-3-Oxo-butyricacidsec-butylester;R,S-3-Oxo-butyricacidsec-butylester;Sec-butyl 3-oxobutanoate;ACETOACETICSEC-BUTYLESTER;Acetoacetic acid 1-methylpropyl ester;sec-Butyl Acetaoacetate
• CAS NO: 13562-76-0
• Molecular Formula: C₈H₁₄O₃
• Molecular Weight: 158.19
• Mol File: 13562-76-0.mol

Chemical Properties

• Boiling Point: 194 °C
• Flash Point: 75.7 °C
• Appearance: /
• Density: 0.98
• Vapor Pressure: 0.342mmHg at 25°C
• Refractive Index: 1.4210-1.4240
• CAS DataBase Reference: ACETOACETIC ACID SEC-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: ACETOACETIC ACID SEC-BUTYL ESTER(13562-76-0)
• EPA Substance Registry System: ACETOACETIC ACID SEC-BUTYL ESTER(13562-76-0)

Safety Data

• Hazardous Substances Data: 13562-76-0(Hazardous Substances Data)

Usage

Uses

Used in Industrial and Laboratory Applications:
ACETOACETIC ACID SEC-BUTYL ESTER is used as a solvent for its ability to dissolve a wide range of substances, facilitating various chemical processes and reactions.
Used in Food Industry:
ACETOACETIC ACID SEC-BUTYL ESTER is used as a flavoring agent for its distinctive fruity aroma, enhancing the taste and appeal of food products.
Used in Perfumery and Cosmetics Industry:
ACETOACETIC ACID SEC-BUTYL ESTER is used as a fragrance ingredient to impart a pleasant scent to perfumes and cosmetic products, contributing to their overall sensory experience.
Used in Pharmaceutical Synthesis:
ACETOACETIC ACID SEC-BUTYL ESTER is used as a key component in the synthesis of various pharmaceuticals, playing a crucial role in the development of new medications.
Used in Pesticide Production:
ACETOACETIC ACID SEC-BUTYL ESTER is used in the production of pesticides, contributing to the creation of effective solutions for pest control and management.
Used in Organic Compound Synthesis:
ACETOACETIC ACID SEC-BUTYL ESTER is used in the synthesis of other organic compounds, highlighting its importance in the manufacturing and production of a wide range of products.

InChI:InChI=1/C8H14O3/c1-4-7(3)11-8(10)5-6(2)9/h7H,4-5H2,1-3H3

Upstream product

• 141-97-9 ethyl acetoacetate 
• 78-92-2 iso-butanol 
• 105-46-4 sec-Butyl acetate 
• 105-45-3 acetoacetic acid methyl ester 
• 5394-63-8 2,2,6-trimethyl-4H-1,3-dioxin-4-one 
• 2911-21-9 2,4-dioxo-6-methyl-3,4-dihydro-2H-1,3-oxazine 
• 674-82-8 4-methyleneoxetan-2-one 

Downstream Products

• 95549-56-7 2,5-di-α-methylpropylformate 1,4-cyclohexanedione 
• 116679-99-3 2-(3-Nitrophenylmethylidene)-3-oxobutanoic acid, 1-methylpropyl ester 

Relevant articles and documents

Nano CuFe2O4: An efficient, magnetically separable catalyst for transesterification of β-ketoesters

The preparation of a variety of β-ketoesters was achieved in high yields from methyl acetoacetate under neutral conditions through the utilization of magnetic CuFe2O4 nanoparticles as catalyst. Recycling of the catalyst was performed up to eight times without significant loss in activity. The catalyst was characterized using XRD, XPS, SEM and TEM techniques.

Molecular iodine in ionic liquid: A green catalytic system for esterification and transesterification

Esterification of carboxylic acids and transesterification of-ketoesters with alcohols have been developed using a catalytic amount of iodine in polyethylene glycol (PEG) ionic liquid (IL 1000) to afford the corresponding esters in good yields. By simple separation of the ionic-liquid phase containing the iodine, the system of I2/IL 1000 can be reused several times. Copyright

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.

Ionic liquid-regulated sulfamic acid: Chemoselective catalyst for the transesterification of β-ketoesters

1-Propyl-3-methylimidazolium chloride ([C3MIm]Cl) ionic liquid and sulfamic acid (NH2SO3H), as a synergetic catalytic medium, were used for the transesterification of acetoacetate with alcohols of different structures. It shows the good ability for the chemoselective transesterificatin of β-ketoesters and maintains its catalytic activity in the reuse.

Mo-ZrO2 solid acid catalyst for transesterification of β-ketoesters

An efficient and mild method for transesterification of β-ketoester catalyzed by Mo-ZrO2 solid acid catalyst is described.

The stereoselective preparation of β-hydroxy esters using a yeast reduction in an organic solvent

A range of (S)-β-hydroxy esters has been prepared in high yield (56-96%) and with very high enantioselectivity (>94%) using a yeast mediated reduction in light petroleum. It was found that the ester functionality had a marked effect on both the isolated yield and the quantity of yeast required to effect complete reduction.

Oxygen Nucleophile Induced Ring Cleavage of 6-Methyl-1,3-oxazine-2,4(3H)-dione -- A Case of Nucleophilic Attack at C-4

Alcohols in the presence of triethylamine react with 6-methyl-1,3-oxazine-2,4(3H)-dione (2), preferentially at C-4 instead of C-2 to afford the corresponding alkyl acetoacetates (4), and alkyl carbamates (5).