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2,5-Octanedione, commonly known as diacetyl, is a chemical compound with the molecular formula C8H14O2. It is a yellow to greenish liquid characterized by a strong buttery odor. This distinctive scent makes it a popular flavoring agent in the food industry, particularly for imparting a buttery flavor to various products.

3214-41-3

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3214-41-3 Usage

Uses

Used in Food Industry:
2,5-Octanedione is used as a flavoring agent for its buttery aroma and taste, enhancing the flavor profiles of various food and beverage products.
However, due to its toxic and irritating properties, especially when inhaled, there are significant health concerns associated with 2,5-Octanedione. It is recognized as a respiratory hazard and has been linked to severe lung disease in workers exposed to high concentrations of the compound. This has led to efforts to limit its use in food and beverage products, with a particular focus on reducing its presence in popcorn flavoring and e-cigarette liquids to mitigate potential health risks.

Check Digit Verification of cas no

The CAS Registry Mumber 3214-41-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,2,1 and 4 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 3214-41:
(6*3)+(5*2)+(4*1)+(3*4)+(2*4)+(1*1)=53
53 % 10 = 3
So 3214-41-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H14O2/c1-3-4-8(10)6-5-7(2)9/h3-6H2,1-2H3

3214-41-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name octane-2,5-dione

1.2 Other means of identification

Product number -
Other names 2,4-DIOXO-1,2,3,4-TETRAHYDRO-QUINOLINE-3-CARBOXYLIC ACID

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:3214-41-3 SDS

3214-41-3Relevant academic research and scientific papers

One-pot synthesis of γ-diketones, γ-keto esters, and conjugated cyclopentenones from nitroalkanes

Ballini, Roberto,Barboni, Luciano,Bosica, Giovanna,Fiorini, Dennis

, p. 2725 - 2728 (2002)

Conjugated addition of primary nitroalkanes to α,β-unsaturated ketones or α,β-unsaturated esters, in the presence of two equivalents of DBU, allows the one-pot prepration of γ-diketones or γ-keto esters, respectively. When 2-aryl-1-nitroethane derivatives

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

Costa, Bruna Z.,Galman, James L.,Slabu, Iustina,France, Scott P.,Marsaioli, Anita J.,Turner, Nicholas J.

, p. 4733 - 4738 (2018/09/25)

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

Ma, Xiaofeng,Dewez, Damien F.,Du, Le,Luo, Xiya,Markó, István E.,Lam, Kevin

, (2018/10/15)

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

Ma, Xiaofeng,Du, Le,Luo, Xiya,Markó, István E.,Dewez, Damien F.,Lam, Kevin

, p. 12044 - 12055 (2019/03/01)

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.

NOVEL PROCESS FOR PREPARING SYNTHESIS INTERMEDIATES USING PRODUCTS OF NATURAL ORIGIN AND USE OF THE INTERMEDIATES OBTAINED

-

Paragraph 0231, (2017/12/15)

Disclosed is a process for preparing a product of formula I: wherein the reaction is catalyzed both by thiamine or a thiamine salt and by ascorbic acid in a form which is free or salified or an organic acid salt of an alkaline metal, preferably sodium acetate, potassium tartrate, sodium succinate, or a reductone, preferably 2-hydroxypropanedial or 2,3-dihydroxycyclopent-2-ene-1-one in an organic solvent.

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

Pridmore, Simon J.,Slatford, Paul A.,Taylor, James E.,Whittlesey, Michael K.,Williams, Jonathan M.J.

supporting information; experimental part, p. 8981 - 8986 (2009/12/27)

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.

2,5-Disubstituted furans from 1,4-alkynediols

Pridmore, Simon J.,Slatford, Paul A.,Williams, Jonathan M.J.

, p. 5111 - 5114 (2008/02/09)

1,4-Alkynediols serve as readily available starting materials for isomerisation to 1,4-diketones, which can be converted in situ into the corresponding furans by acid-catalysed dehydration. A range of 2,5-disubstituted furans was prepared using the ruthenium-based catalyst Ru(PPh3)3(CO)H2 with Xantphos at 1 mol % loading.

Unprecedented, selective Nef reaction of secondary nitroalkanes promoted by DBU under basic homogeneous conditions

Ballini, Roberto,Bosica, Giovanna,Fiorini, Dennis,Petrini, Marino

, p. 5233 - 5235 (2007/10/03)

Secondary nitrocompounds can be converted into the corresponding ketones under basic conditions using DBU in acetonitrile. Primary nitroalkanes are unaffected by these conditions. Elsevier Science Ltd. All rights reserved.

Neighboring group participation in Lewis acid-promoted [3 + 4] and [3 + 5] annulations. The synthesis of oxabicyclo[3.n.1]alkan-3-ones

Molander, Gary A.,Camera, Kimberly O.

, p. 830 - 846 (2007/10/02)

Lewis acids are employed as catalysts in the annulation of 1,4- and 1,5-dicarbonyl dielectrophiles with bis(trimethylsilyl) end ethers of β-diketones and β-keto esters. A variety of 2-(alkoxycarbonyl)-m-oxabicyclo[3.n.1]alkan-3-ones can be constructed by this process in which two new carbon-carbon bonds are generated. Unusually high regiocontrol is observed, and good to excellent stereochemical control can be achieved at virtually every position on the new carbocycles. Intramolecular neighboring group participation is proposed to explain the unusually high selectivities attained in the annulation reaction.

A convenient synthesis of 1,4-diketones

Motoyoshiya,Hongo,Tanaka,Hayashi

, p. 997 - 1000 (2007/10/02)

A simple and short synthesis of 1,4-diketones was achieved via 2-chloro-5-methylthio-2,5-hexadienes and their hydrolysis with titanium tetrachloride.

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