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

Downstream Products

• 104519-27-9 2-(4'-butyl-3',5'-dimethylpyrazol-1'-yl)-6-methylbenzothiazole 
• 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 
• 110-43-0 n-pentyl methyl ketone 
• 34549-87-6 ethyl 4-butyl-3,5-dimethylpyrrole-2-carboxylate 
• 93341-72-1 benzyloxycarbonyl-2 dimethyl-3,5 butyl-4 pyrrole 
• 406483-36-1 benzyl 5-acetoxymethyl-4-n-butyl-3-methylpyrrole-2-carboxylate 
• 865855-40-9 2,5-bis((5-benzyloxycarbonyl-3-n-butyl-4-methyl-2-pyrrolyl)methyl)-3,4-diethyl-1H-pyrrole 
• 104519-28-0 2-(4'-butyl-3',5'-dimethylpyrazol-1'-yl)-6-chlorobenzothiazole 
• 104519-26-8 2-(4'-butyl-3',5'-dimethylpyrazol-1'-yl)-benzothiazole 

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.

Synthesis, Spectroelectrochemical Behavior, and Chiroptical Switching of Tris(β-diketonato) Complexes of Ruthenium(III), Chromium(III), and Cobalt(III)

Five tris(β-diketonato) complexes of ruthenium(III), chromium(III), and cobalt(III) [Ru(Buacac)3 (1), Ru(Oacac)3 (2), Cr(Buacac)3 (3), Cr(Oacac)3 (4), and Co(Buacac)3 (5), where Buacac = 3-butylpentane-2,4-dionato and Oacac = 3-octylpentane-2,4-dionato] with a chiral propeller-like structure have been prepared. Ligands and complexes syntheses are presented together with characterization of the compounds by 1H and 13C NMR spectroscopy, mass spectrometry, IR, UV-vis, electronic circular dichroism (ECD) spectroscopy, electrochemistry studies, and first-principles calculations. The crystal structures of 1 and 5 have also been obtained and analyzed. A comparison of the 1H NMR spectra of diamagnetic (ligands and 5) and paramagnetic (1 and 2) species is presented. Optical resolution of the five complexes has been achieved for the first time by supercritical fluid chromatography using a chiral column, giving rise to very high purity grades in all cases. ECD measurements and calculations have led to the assignment of the absolute configuration, δ or λ, of each enantiomer for 1-5. Spectroelectrochemical UV-vis and ECD studies have been performed on ruthenium λ-2 and chromium λ-4 complexes, revealing their redox-triggered chiroptical switching confirming the noninnocence character of the β-diketonate ligands.

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.