Methyl Ethyl Ketone

Base Information

• Chemical Name: Methyl Ethyl Ketone
• CAS No.: 78-93-3
• Deprecated CAS: 135311-02-3
• Molecular Formula: C4H8O
• Molecular Weight: 72.1069
• Hs Code.: 2914.19 Oral rat LD50; 2737 mg/kg
• European Community (EC) Number: 201-159-0
• ICSC Number: 0179
• UN Number: 1193
• UNII: 6PT9KLV9IO
• DSSTox Substance ID: DTXSID3021516
• Nikkaji Number: J1.960G
• Wikipedia: Butanone
• Wikidata: Q372291
• NCI Thesaurus Code: C77477
• RXCUI: 1363708
• Metabolomics Workbench ID: 5449
• ChEMBL ID: CHEMBL15849
• Mol file: 78-93-3.mol

Synonyms:2-butanone;ethyl methyl ketone;methyl ethyl ketone;methylethyl ketone

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Chemical Property of Methyl Ethyl Ketone

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 115mmHg at 25°C
• Melting Point: -86 °C, 187 K, -123 °F
• Refractive Index: 1.378 - 1.380
• Boiling Point: 79.64 °C, 353 K, 175 °F
• Flash Point: 9 °C
• PSA: 17.07000
• Density: 0.786 g/cm³
• LogP: 0.98540
• Water Solubility.: 290 g/L (20℃)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 72.057514874
• Heavy Atom Count: 5
• Complexity: 38.9
• Transport DOT Label: Flammable Liquid

Purity/Quality:

Safty Information:

• Pictogram(s): F, Xi
• Hazard Codes: F:Flammable;;
• Statements: R11:; R36:; R66:; R67:
• Safety Statements: S16:; S9:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Ketones (
• Canonical SMILES: CCC(=O)C
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and respiratory tract. The substance may cause effects on the central nervous system. Exposure could cause unconsciousness. If swallowed the substance easily enters the airways and could result in aspiration pneumonitis.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking. Animal tests show that this substance possibly causes toxicity to human reproduction or development.

Technology Process of Methyl Ethyl Ketone

There total 851 articles about Methyl Ethyl Ketone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 31.5%

ethyloxirane (106-88-7) → (E/Z)-2-buten-1-ol (6117-91-5,542-72-3) + 2-ethylhexenal (645-62-5) + butyraldehyde (123-72-8) + butanone (78-93-3)

Guidance literature:

With magnesium bromide; In N,N-dimethyl-formamide; at 130 ℃; for 1.16667h; Further byproducts given;

Reference yield:

cellulose (9004-34-6) → 2-methylfuran (534-22-5) + styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + toluene (108-88-3,15644-74-3,16713-13-6) + butanone (78-93-3)

Guidance literature:

With air; at 400 - 600 ℃; Formation of xenobiotics;

DOI:10.1021/es980796q

Reference yield:

wood → Acetol acetate (592-20-1) + o-xylene (95-47-6) + ethylbenzene (100-41-4,27536-89-6) + butanone (78-93-3)

Guidance literature:

With air; Further byproducts given; Formation of xenobiotics;

DOI:10.1021/es981006f

upstream raw materials:

ethyloxirane

2,3-epoxybutane

diazomethane

acetone

Downstream raw materials:

2-methyl-1,2-butanediol

5-sec-butylbarbituric acid

2,4-diamino-6,7-diphenylpteridine

2,3-dimethylquinoline-4-carboxylic acid

Refernces

• 1、 Walling. "-". . p. 125,127. Retrieved 1975.
• 2、 Longhi,De Bertorello,Granero. "Isoxazoles. 8. Preformulation studies of an isoxazolylnaphthoquinone derivative". . p. 336 - 338. Retrieved 1994.
• 3、 Davison, Suzanne F.,Mann, Brian E.,Maitlis, Peter M.. "Phosphomolybdic Acid as a Reoxidant in the Palladium(II)-catalysed Oxidation of But-1-ene to Butan-2-one". . p. 1223 - 1228. Retrieved 1984.
• 4、 Beebe, T. R.,Adkins, R. L.,Belcher, A. I.,Choy, T.,Fuller, A. E.,et al.. "Oxidative Decarboxylation of α-Hydroxy Carboxylic Acids with N-Iodosuccinimide". . p. 3006 - 3008. Retrieved 1982.
• 5、 Longhi,De Bertorello. "Isoxazoles VI: Aspects of the chemical stability of a new naphthoquinone-amine in acidic aqueous solution". . p. 754 - 757. Retrieved 1990.
• 6、 Stobbe-Kreemers, A. W.,Lans, G. van der,Makkee, M.,Scholten, J. J. F.. "Palladium Salts of Heteropolyacids as Catalysts in the Wacker Oxidation of 1-Butene". . p. 187 - 193. Retrieved 1995.
• 7、 Arai et al.. "-". . p. 2739. Retrieved 1969.
• 8、 Fossey-Jouenne, Aurélie,Jongkind, Ewald P. J.,Mayol, Ombeline,Paul, Caroline E.,Vergne-Vaxelaire, Carine,Zaparucha, Anne. "Synthesis of Chiral Amines via a Bi-Enzymatic Cascade Using an Ene-Reductase and Amine Dehydrogenase". . . Retrieved 2021/12/23.
• 9、 Matsuda, Asami,Matsumura, Yoshitaka,Sato, Satoshi,Yamada, Yasuhiro. "Vapor-phase dehydration of 1,4-butanediol to 1,3-butadiene over Y2Zr2O7 catalyst". . . Retrieved 2021/09/16.