3214-41-3

Basic information

• Product Name: 2,5-OCTANEDIONE
• Synonyms: TIMTEC-BB SBB008161;2,5-OCTANEDIONE;Octanedione, 2,7-;Octane-2,5-dione
• CAS NO: 3214-41-3
• Molecular Formula: C8H14O2
• Molecular Weight: 142.2
• Mol File: 3214-41-3.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 252°Cat760mmHg
• Flash Point: 92.7°C
• Appearance: /
• Density: 0.918g/cm³
• Vapor Pressure: 0.078mmHg at 25°C
• Refractive Index: 1.419
• CAS DataBase Reference: 2,5-OCTANEDIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-OCTANEDIONE(3214-41-3)
• EPA Substance Registry System: 2,5-OCTANEDIONE(3214-41-3)

Safety Data

• Hazardous Substances Data: 3214-41-3(Hazardous Substances Data)

Usage

General Description

2,5-Octanedione, also known as diacetyl, is a chemical compound with the molecular formula C8H14O2. It is a yellow to greenish liquid with a strong buttery odor and is used as a flavoring agent in the food industry. Diacetyl is also known for its toxic and irritating properties, particularly when inhaled. It is a known respiratory hazard and has been linked to severe lung disease in workers exposed to high levels of the compound. Due to its potential health risks, efforts have been made to limit its use in food and beverage products, particularly in popcorn flavoring and e-cigarette liquids.

InChI:InChI=1/C8H14O2/c1-3-4-8(10)6-5-7(2)9/h3-6H2,1-2H3

Upstream product

• 78-94-4 methyl vinyl ketone 
• 123-72-8 butyraldehyde 
• 107-87-9 2-Pentanone 
• 78-95-5 chloroacetone 
• 1310570-59-2 dimethyl 2-(3-oxobutyl)-2-propylmalonate 
• 623-15-4 4-(furan-2-yl)but-3-en-2-one 
• 136028-33-6 diethyl (4-chloro-1-methylthio-3-pentenyl)phosphonate 
• 117959-80-5 Oct-7-en-4-one N,N-Dimethylhydrazone 
• 28236-86-4 pentan-2-one dimethylhydrazone 
• 85877-53-8 trimethylsilyl 4,4-ethylendioxypentanoate 
• 4388-57-2 tert-butyldimethylsilyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate 
• 35336-45-9 1-propylpent-2-yne-1,4-diol 
• 627-05-4 1-nitrobutane 
• 104311-67-3 2,2-ethylenedioxy-5-octanone 

Downstream Products

• 156000-14-5 2-methyl-2-<3'(1,3-dithiolanyl)hexyl>thiazolidine 
• 156000-13-4 2-propyl-2-<3'(1,3-dithiolanyl)butyl>thiazolidine 
• 5682-72-4 2-ethyl-3-methylcyclopent-2-en-1-one 
• 33933-73-2 2-methyl-5-propyl-thiophene 
• 153686-99-8 2-methyl-5-propyl N-ethanethiol pyrrole 

Relevant articles and documents

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Synthesis of 2,5-Disubstituted Pyrrolidine Alkaloids via A One-Pot Cascade Using Transaminase and Reductive Aminase Biocatalysts

A multi-enzymatic cascade process involving transaminases (TAs) and reductive aminases (RedAms) to produce enantiomerically pure 2,5-disubstituted pyrrolidine alkaloids from their respective 1,4-diketones is reported. Several TAs were screened and the best results for diketone monoamination were obtained with an R-selective TA from Mycobacterium chlorophenicum and with an S-selective TA from Bacillus megaterium. Pyrroline reduction was best performed by a reductive aminase from Ajellomyces dermatitidis (AdRedAm). Finally, a biocatalytic one-pot cascade was implemented using the aforementioned enzymes and a variety of 2-methyl-5-alkylpyrrolidines were produced with high (>99 %) conversion, diastereomeric and enantiomeric excess values.

Synthesis of Diketones, Ketoesters, and Tetraketones by Electrochemical Oxidative Decarboxylation of Malonic Acid Derivatives: Application to the Synthesis of cis-Jasmone

Disubstituted malonic acid derivatives are smoothly converted into diketones and ketoesters in good to excellent yield (68% to 91%) under electrochemical conditions. The scope can be extended to transform trisubstituted bis-malonic acids into tetraketones in 77% to 86% yield. The new method was applied to the total synthesis of cis-jasmone.

Synthesis of furans, pyrroles and pyridazines by a ruthenium-catalysed isomerisation of alkynediols and in situ cyclisation

Alkyne-1,4-diols are readily available substrates which are isomerised to 1,4-diketones using Ru(PPh3)3(CO)H2/xantphos as a catalyst. In situ cyclisation into furans, pyrroles and pyridazines has been achieved under suitable conditions.