1851-86-1

Basic information

• Product Name: 3-hydroxybutyl acetate
• Synonyms: 3-hydroxybutyl acetate;1,3-Butanediol 1-acetate;Acetic acid 3-hydroxybutyl;Acetic acid 3-hydroxybutyl ester;Einecs 217-439-0
• CAS NO: 1851-86-1
• Molecular Formula: C₆H₁₂O₃
• Molecular Weight: 132.15768
• EINECS: 217-439-0
• Mol File: 1851-86-1.mol
• Article Data: 20

Chemical Properties

• Boiling Point: 142.6°Cat760mmHg
• Flash Point: 41.7°C
• Appearance: /
• Density: 1.024g/cm³
• Vapor Pressure: 2.25mmHg at 25°C
• Refractive Index: 1.427
• CAS DataBase Reference: 3-hydroxybutyl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 3-hydroxybutyl acetate(1851-86-1)
• EPA Substance Registry System: 3-hydroxybutyl acetate(1851-86-1)

Safety Data

• Hazardous Substances Data: 1851-86-1(Hazardous Substances Data)

Usage

General Description

3-Hydroxybutyl acetate, also known as 3-HBA, is a chemical compound that is commonly used as a flavoring agent and fragrance ingredient in the food and cosmetic industries. It is a clear, colorless liquid with a fruity, sweet aroma that is reminiscent of pineapple and apricot. 3-HBA is synthesized by the esterification of 3-hydroxybutanol with acetic acid, and it is commonly used in the production of perfumes, colognes, and other scented products. It is also used as a solvent in the manufacture of coatings, adhesives, and chemical intermediates. Additionally, 3-Hydroxybutyl acetate can be found in various natural sources such as fruits and flowers.

InChI:InChI=1/C6H12O3/c1-5(7)3-4-9-6(2)8/h5,7H,3-4H2,1-2H3

Upstream product

• 10150-87-5 1-acetoxybutan-3-one 
• 107-89-1 acetaldol 
• 75-07-0 acetaldehyde 
• 18826-95-4 1.3-butanediol 
• 108-24-7 acetic anhydride 
• 35337-49-6 2-bromomethyl-4-methyl-1,3-dioxane 
• 64-19-7 acetic acid 
• 2466-76-4 N-Acetylimidazole 
• 75-36-5 acetyl chloride 
• 108-22-5 Isopropenyl acetate 
• 590-90-9 1-Hydroxy-3-butanone 
• 113406-49-8 4-methyl-2-methylene-1,3-dioxane 
• 76397-53-0 3-acetylthiazolidine-2-thione 
• 766-20-1 2,4-dimethyl-[1,3]dioxane 

Downstream Products

• 10150-87-5 1-acetoxybutan-3-one 
• 912816-43-4 acetic acid 3-(2-benzyl-4-ethyl-phenoxy)-butyl ester 
• 847344-52-9 acetic acid 3-(2-benzoyl-4-ethyl-phenoxy)-butyl ester 

Relevant articles and documents

Stereoselective Reduction of β-Hydroxy Ketones with Aldehydes via Tishchenko Reactions Catalyzed by Zirconocene Complexes

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Sulfonic acid-functionalized periodic mesoporous organosilicas in esterification and selective acylation reactions

The application of sulfonic acid-functionalized periodic mesoporous organosilicas (PMOs) having either phenyl (1a) or ethyl (1b) bridging groups was investigated in the esterification of a variety of alcohols and fatty acids. It was found that 1b consistently exhibited higher catalytic performance than 1a in the described reaction. In particular, it was proposed that the superior catalytic activity of 1b in esterification of fatty acids with methanol is a result of adequate hydrophobic-hydrophilic surface balance in the ethyl PMO catalyst. In addition, the study of chemoselective acylation of 1,3-butanediol with dodecanoic acid with varied mesoporous silica-supported solid sulfonic acids including both 1a and 1b implies that there is a compromise between the reaction selectivity and the surface physicochemical properties of the employed catalyst. Our results clearly show that the catalyst having high surface hydrophilic nature gives high selectivity toward the formation of mono-acylated products whereas those with relatively high hydrophobic characteristics showed enhanced selectivity toward the formation of di-acylated products.

Regioselective acetylation of carbohydrates and diols catalyzed by tetramethyl-ammonium hydroxide in water

A novel method for an efficient regioselective acetylation of carbohydrates and diols in aqueous solution is described. Treatment of substrates with 1-acetylimidazole, and tetramethyl-ammonium hydroxide (TMAH) in water under mild conditions gave highly regioselective acetylation for primary hydroxyl groups. This discovery provides an eco-friendly way for selective acetylation of non-protected glycosides and diols in water, avoiding the use of toxic organic solvents and the necessity of pre-protection of secondary hydroxyl groups. This journal is