2-Methyl-3-pentanone

Base Information

• Chemical Name: 2-Methyl-3-pentanone
• CAS No.: 565-69-5
• Molecular Formula: C6H12O
• Molecular Weight: 100.161
• Hs Code.: 2914190090
• European Community (EC) Number: 209-288-4
• UNII: 0R392X5X26
• DSSTox Substance ID: DTXSID2073196
• Nikkaji Number: J121.212E
• Wikipedia: Ethyl_isopropyl_ketone
• Wikidata: Q5404456
• Metabolomics Workbench ID: 38778
• Mol file: 565-69-5.mol

Synonyms:2-METHYL-3-PENTANONE;565-69-5;2-Methylpentan-3-one;Ethyl isopropyl ketone;3-Pentanone, 2-methyl-;4-Methyl-3-pentanone;Isopropyl ethyl ketone;2-Methyl-3-pentanal;iso-C3H7COC2H5;UNII-0R392X5X26;EINECS 209-288-4;0R392X5X26;2-methyl-pentan-3-one;SCHEMBL43655;2-Methyl-3-pentanone, 97%;DTXSID2073196;CHEBI:89215;MFCD00009314;AKOS009031606;BS-28922;LS-192265;FT-0612954;M1249;EN300-19777;2-Methyl-3-pentanone, purum, >=99.0% (GC);Q5404456

Chemical Property of 2-Methyl-3-pentanone

Chemical Property:

• Appearance/Colour: Colorless clear liquid
• Vapor Pressure: 0.487mmHg at 25°C
• Melting Point: 116.5-118℃
• Refractive Index: n20/D 1.397(lit.)
• Boiling Point: 107.4 °C at 760 mmHg
• Flash Point: 10.8 °C
• PSA: 17.07000
• Density: 0.8g/cm³
• LogP: 1.62150
• Water Solubility.: 14.97g/L(25 oC)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 100.088815002
• Heavy Atom Count: 7
• Complexity: 64.6

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-3-pentanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 9-16-23-33

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Ketones (
• Canonical SMILES: CCC(=O)C(C)C
• Uses: 2-Methyl-3-pentanone may be used to study the stereochemistry of ketone enolization by lithium 2, 2, 6, 6-tetramethylpiperidide.

Technology Process of 2-Methyl-3-pentanone

There total 72 articles about 2-Methyl-3-pentanone 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: 98.0%

2,3-epoxy-2-methylpentane (1192-22-9) → 2-methylpentane-2,3-diol (7795-80-4) + ethyl isopropyl ketone (565-69-5) + 3-methyl-pentan-2-one (565-61-7,55156-16-6)

Guidance literature:

With perchloric acid; In water; for 5h; Ambient temperature;

Reference yield: 87.0%

N,N-dimethylhydrazone of 2-methylpentan-3-one (65457-39-8) → ethyl isopropyl ketone (565-69-5)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); In acetic acid; acetonitrile; at 0 - 20 ℃; Product distribution;

DOI:10.1021/jo991390e

Reference yield: 60.0%

butanone (78-93-3) + methyl trifluoromethanesulfonate (333-27-7) → ethyl isopropyl ketone (565-69-5) + 2,2-dimethyl-3-pentanone (564-04-5) + 2,4-dimethylpentan-3-one (565-80-0)

Guidance literature:

With n-butyllithium; potassium hydride; In diethyl ether;

DOI:10.1021/jo00080a042

upstream raw materials:

formic acid

3-ethoxy-2-methyl-pentan-2-ol

3-butyloxy-2-methyl-pentanol-⁽²⁾

Isobutyronitrile

Downstream raw materials:

4-methyl-pentane-2,3-dione 2-oxime

2-Aethyl-2-isopropylthiazolidin

4-(2,4-Dinitro-benzol-sulfenyl)-2-methyl-pentanon-⁽²⁾

4-methyl-2,3-pentanedione

Refernces

• 1、 Feit,I.N.,Saunders,W.H.. "-". . p. 5615 - 5616. Retrieved 1970.
• 2、 Endo, Naoki,Inoue, Mami,Iwasawa, Tetsuo. "Rational Design of a Metallocatalytic Cavitand for Regioselective Hydration of Specific Alkynes". supporting information. p. 1136 - 1140. Retrieved 2018/03/13.
• 3、 Guo, Ying,Xue, Qiang,Cui, Kangping,Zhang, Jia,Wang, Hui,Zhang, Huanzhen,Yuan, Fang,Chen, Honghan. "Study on the degradation mechanism and pathway of benzene dye intermediate 4-methoxy-2-nitroaniline: Via multiple methods in Fenton oxidation process". . p. 10764 - 10775. Retrieved 2018/03/26.