3-Methyl-2-pentanone

Base Information

• Chemical Name: 3-Methyl-2-pentanone
• CAS No.: 565-61-7
• Molecular Formula: C₆H₁₂O
• Molecular Weight: 100.161
• Hs Code.: 2914190090
• European Community (EC) Number: 209-282-1
• NSC Number: 66492
• DSSTox Substance ID: DTXSID4021634
• Nikkaji Number: J26.132G
• Wikipedia: 3-Methyl-2-pentanone
• Wikidata: Q15720827
• Metabolomics Workbench ID: 5433
• ChEMBL ID: CHEMBL3182903
• Mol file: 565-61-7.mol

Synonyms:3-Methyl-2-pentanone;565-61-7;3-METHYLPENTAN-2-ONE;2-Pentanone, 3-methyl-;Methyl sec-butyl ketone;sec-Butyl methyl ketone;Methyl 1-methylpropyl ketone;3-methyl-pentan-2-one;EINECS 209-282-1;NSC 66492;DTXSID4021634;EC 209-282-1;(+/-)-3-Methyl-Pentan-2-One;methylethylacetone;MFCD00009336;sec-C4H9COCH3;SCHEMBL93407;3-Methyl-2-pentanone, 99%;DTXCID801634;CHEMBL3182903;UIHCLUNTQKBZGK-UHFFFAOYSA-;NSC66492;Tox21_200530;LMFA12000027;NSC-66492;AKOS009031605;NCGC00248679-01;NCGC00258084-01;AS-31209;CAS-565-61-7;LS-195259;FT-0616074;M0388;EN300-19776;Q15720827

Chemical Property of 3-Methyl-2-pentanone

Chemical Property:

• Appearance/Colour: colorless to slightly yellow liquid
• Vapor Pressure: 18.2mmHg at 25°C
• Boiling Point: 118 °C758 mm Hg(lit.)
• Flash Point: 12 ºC
• PSA: 17.07000
• Density: 0.815
• LogP: 1.62150
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 100.088815002
• Heavy Atom Count: 7
• Complexity: 66.6

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Statements: R11:Highly flammable.
• Safety Statements: S16:Keep away from sources of ignition - No smoking.; S23:Do not inhale gas/fumes/vapour/spray.; S33:Take precauti

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Ketones (
• Canonical SMILES: CCC(C)C(=O)C

Technology Process of 3-Methyl-2-pentanone

There total 61 articles about 3-Methyl-2-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: 90.0%

3-methylpentane (96-14-0) → 3-methylpentan-3-ol (77-74-7) + 3-methyl-pentan-2-one (565-61-7,55156-16-6)

Guidance literature:

With oxygen; In dichloromethane; at 25 ℃; for 2h; under 760.051 Torr;

DOI:10.1021/jacs.7b09553

Reference yield: 73.0%

3-Ethyl-2,3-dimethyl-oxirane-2-carboxylic acid → 3-methyl-pentan-2-one (565-61-7,55156-16-6)

Guidance literature:

With 3 A molecular sieve; lithium bromide; In chloroform; for 144h; Ambient temperature;

DOI:10.1021/jo00346a013

Reference yield: 24.0%

3-methylpentane (96-14-0) → 3-methylpentan-2-ol (565-60-6) + 3-methyl-1-pentanol (589-35-5,20281-83-8) + 3-methylpentan-3-ol (77-74-7) + 3-methyl-pentan-2-one (565-61-7,55156-16-6)

Guidance literature:

With iodosylbenzene; In dichloromethane; at 25 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jacs.7b09553

upstream raw materials:

3-methylpentan-2-ol

(trans)-2-ethyl-2-buten-1-ol

2,3-dibromo-3-methyl-pentane

(E)-3-methylpent-3-en-2-one

Downstream raw materials:

3-sec-butyl-3-methyl-oxirane-2-carboxylic acid methyl ester

3,4-dimethyl-3-hexanol

Methyl-sec-butyl-keton-semicarbazon

DL-ethyl 2-methylbutyrylacetate

Refernces

• 1、 Ohkubo, Kei,Hirose, Kensaku,Fukuzumi, Shunichi. "Photooxygenation of alkanes by dioxygen with: P -benzoquinone derivatives with high quantum yields". . p. 731 - 734. Retrieved 2016/07/06.
• 2、 -. "5-SEC-BUTYL-2-(2,4-DIMETHYL-CYCLOHEX-3-ENYL)-5-METHYL-[1,3]DIOXANE AND PROCESS FOR MAKING THE SAME". Paragraph 0012; 0013. . Retrieved 2014/04/03.