1540-36-9

Basic information

• Product Name: 3-N-BUTYL-2,4-PENTANEDIONE
• Synonyms: 3-N-BUTYL-2,4-PENTANEDIONE;3-Acetyl-2-heptanone;3-Butyl-2,4-pentanedione;3-Butylacetylacetone;3-Butylpentanedione-2,4;3-butylpentane-2,4-dione;3-Butyl-2,4-pentadione
• CAS NO: 1540-36-9
• Molecular Formula: C₉H₁₆O₂
• Molecular Weight: 156.22
• EINECS: 216-274-1
• Mol File: 1540-36-9.mol
• Article Data: 20

Chemical Properties

• Boiling Point: 101-104°C 10mm
• Flash Point: 101-104°C/10mm
• Appearance: /
• Density: 0,927 g/cm3
• Vapor Pressure: 0.00253mmHg at 25°C
• Refractive Index: 1.4470
• BRN: 507436
• CAS DataBase Reference: 3-N-BUTYL-2,4-PENTANEDIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-N-BUTYL-2,4-PENTANEDIONE(1540-36-9)
• EPA Substance Registry System: 3-N-BUTYL-2,4-PENTANEDIONE(1540-36-9)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-37
• Hazardous Substances Data: 1540-36-9(Hazardous Substances Data)

Usage

General Description

3-N-Butyl-2,4-pentanedione is a chemical compound commonly used as a flavoring agent or fragrance in various consumer products. It belongs to the class of compounds known as diketones, which are organic compounds that contain two ketone groups. This chemical is often used to add a buttery or creamy flavor to food products such as baked goods, candies, and dairy products. It can also be found in cosmetic products, air fresheners, and cleaning agents. However, there are concerns about its safety and potential health effects, particularly with prolonged exposure or ingestion, and it is regulated by various governmental agencies.

InChI:InChI=1/C9H16O2/c1-4-5-6-9(7(2)10)8(3)11/h10H,4-6H2,1-3H3/b9-7+

Upstream product

• 52789-66-9 2-acetoxy-2-heptene 
• 108-24-7 acetic anhydride 
• 408519-21-1 benzoic acid-(1-methyl-hex-1-en-ξ-yl ester) 
• 109-65-9 1-bromo-butane 
• 123-54-6 acetylacetone 
• 542-69-8 1-iodo-butane 
• 15435-71-9 sodium acetylacetonate 
• 110-43-0 n-pentyl methyl ketone 
• 1118-67-8 sodium (Z)-4-oxopent-2-en-2-olate 
• 29149-84-6 3-(2-buten-1-yl)pentane-2,4-dione 
• 123-72-8 butyraldehyde 
• 7637-07-2 boron trifluoride 
• 75-36-5 acetyl chloride 
• 71-36-3 butan-1-ol 

Downstream Products

• 104519-27-9 2-(4'-butyl-3',5'-dimethylpyrazol-1'-yl)-6-methylbenzothiazole 
• 93290-00-7 (E)-4-[(E)-1-Hydroxy-3-phenyl-prop-2-en-(Z)-ylidene]-1-phenyl-oct-1-en-3-one 
• 98886-20-5 (1E,6E)-4-Butyl-1,7-diphenyl-hepta-1,6-diene-3,5-dione 
• 98885-89-3 (E)-4-[(E)-1-Hydroxy-3-(4-hydroxy-phenyl)-prop-2-en-(Z)-ylidene]-1-(4-hydroxy-phenyl)-oct-1-en-3-one 
• 98886-24-9 (1E,6E)-4-Butyl-1,7-bis-(4-hydroxy-phenyl)-hepta-1,6-diene-3,5-dione 
• 98885-95-1 (E)-4-[(E)-1-Hydroxy-3-(4-hydroxy-3-methoxy-phenyl)-prop-2-en-(Z)-ylidene]-1-(4-hydroxy-3-methoxy-phenyl)-oct-1-en-3-one 
• 98886-29-4 (1E,6E)-4-Butyl-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione 
• 98886-03-4 (E)-1-(3,4-Dimethoxy-phenyl)-4-[(E)-3-(3,4-dimethoxy-phenyl)-1-hydroxy-prop-2-en-(Z)-ylidene]-oct-1-en-3-one 
• 98886-35-2 (1E,6E)-4-Butyl-1,7-bis-(3,4-dimethoxy-phenyl)-hepta-1,6-diene-3,5-dione 
• 104519-26-8 2-(4'-butyl-3',5'-dimethylpyrazol-1'-yl)-benzothiazole 
• 34549-87-6 ethyl 4-butyl-3,5-dimethylpyrrole-2-carboxylate 
• 104519-28-0 2-(4'-butyl-3',5'-dimethylpyrazol-1'-yl)-6-chlorobenzothiazole 
• 110-43-0 n-pentyl methyl ketone 
• 93341-72-1 benzyloxycarbonyl-2 dimethyl-3,5 butyl-4 pyrrole 

Relevant articles and documents

Chemoenzymatic Dynamic Kinetic Asymmetric Transformations of β-Hydroxyketones

Herein we report on the development and application of chemoenzymatic Dynamic Kinetic Asymmetric Transformation (DYKAT) of α-substituted β-hydroxyketones (β-HKs), using Candida antartica lipase B (CALB) as transesterification catalyst and a ruthenium complex as epimerization catalyst. An operationally simple protocol allows for an efficient preparation of highly enantiomerically enriched α-substituted β-oxoacetates. The products were obtained in yields up to 95 % with good diastereomeric ratios.

Oxovanadium(IV) complexes bearing substituted pentane-2,4-dionate ligands: Synthesis, structure and drying activity in solvent-borne alkyd paints

New oxovanadium(IV) pentane-2,4-dionate complexes decorated with long alkyl tails have been prepared and characterized by the spectroscopic methods and the X-ray crystallography. The increased solubility in non-polar organic solvents enabled to investigate the catalytic activity of the title compounds on various solvent-borne alkyd resins. The detailed study of the drying process reveals their excellent performance at considerably lower concentrations than usual for commertial cobalt-based driers. Furthermore, the oxovanadium(IV) compounds are highly active in wider range of concentration. Such lower sensitivity to precise dosage helps to avoid the overdose effect without necessity of other additives.

Different products in the reaction of the alcohols with cyclic and acyclic 1,3-dicarbonyl compounds: K5CoW12O40 as an electron transfer nano catalyst

K5CoW12O40 was used as a highly effective catalyst for the benzylation of 1,3-dicarbonyl compounds. β-Keto enol ethers were obtained when cyclic 1,3-dicarbonyl compounds used in this conditions instead of linear ones. The present methodology offers a practical, simple, mild, environmentally friendly, and time-saving method for etherification. Very low loading of catalyst, ease of workup, ease of handling, and reusability of catalyst are other advantages of this catalyst.